Back to Search
Molecule
1,1-Dimethylethyl N-[(2R)-2-Piperidinylmethyl]Carbamate
CAS: 139004-96-9 · C11H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 139004-96-9
- Molecular Formula
- C11H22N2O2
- Molecular Mass
- 214.31 g/mol
Identifiers
CAS Registry Number
139004-96-9
SMILES
CC(C)(C)OC(O)=NC[C@H]1CCCCN1
InChI Key
DIRUVVRMWMDZAE-SECBINFHSA-N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1
Names and Synonyms
- 1,1-Dimethylethyl N-[(2R)-2-Piperidinylmethyl]Carbamate Systematic Name
- Carbamic acid, N-[(2R)-2-piperidinylmethyl]-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, (2-piperidinylmethyl)-, 1,1-dimethylethyl ester, (R)- Synonym
- 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate Synonym
- (R)-tert-Butyl(piperidin-2-ylmethyl)carbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.31 g/mol | CAS Common Chemistry |
| 214.30899999999994 g/mol | RDKit | |
| 214.309 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCC1NCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DIRUVVRMWMDZAE-SECBINFHSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 53.85 Ų | RDKit |
| LogP | 1.8576000000000001 | RDKit |
| 1.8576 | RDKit | |
| Molar Refractivity | 61.41050000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 214.168127944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 214.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H22N2O2.
1,1-Dimethylethyl N-(4-Methyl-4-Piperidinyl)Carbamate
CAS 163271-08-7
Carbamic acid, (4-aminocyclohexyl)-, 1,1-dimethylethyl ester
CAS 195314-59-1
1,1-Dimethylethyl (2R)-2-Ethyl-1-Piperazinecarboxylate
CAS 393781-70-9
Carbamic acid, N-(hexahydro-1H-azepin-4-yl)-, 1,1-dimethylethyl ester
CAS 454451-28-6
Carbamic acid, N-[(2S)-2-piperidinylmethyl]-, 1,1-dimethylethyl ester
CAS 139004-93-6
1-Piperidinecarboxylic Acid, 3-(Aminomethyl)-, 1,1-Dimethylethyl Ester, (3S)-
CAS 140645-24-5
