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1,1-Dimethylethyl N-[(3R)-3-Piperidinylmethyl]Carbamate
CAS: 879275-33-9 | C11H22N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
879275-33-9
Molecular Formula:
C11H22N2O2
Molecular Mass:
214.31 g/mol
Names and Synonyms:
1,1-Dimethylethyl N-[(3R)-3-Piperidinylmethyl]Carbamate
Carbamic acid, N-[(3R)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester
Carbamic acid, [(3R)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester
1,1-Dimethylethyl N-[(3R)-3-piperidinylmethyl]carbamate
tert-Butyl (R)-piperidin-3-ylmethylcarbamate
(R)-tert-Butyl [[piperidin-3-yl]methyl]carbamate
Identifiers:
SMILES:
CC(C)(C)OC(O)=NC[C@@H]1CCCNC1
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.31 g/mol | CAS Common Chemistry |
| 214.30899999999994 g/mol | RDKit | |
| 214.168127944 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCC1CNCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KHPQHXGYYXYTDN-SECBINFHSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl N-[(3R)-3-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 | 1.7151 | RDKit |
| Molar Refractivity | 61.36250000000005 | RDKit |
