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Molecule
1-(1-Methyl-4-Piperidinyl)Piperazine
CAS: 23995-88-2 · C10H21N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23995-88-2
- Molecular Formula
- C10H21N3
- Molecular Mass
- 183.30 g/mol
Identifiers
CAS Registry Number
23995-88-2
SMILES
CN1CCC(N2CCNCC2)CC1
InChI Key
OHUMKYGINIODOY-UHFFFAOYSA-N
InChI
InChI=1S/C10H21N3/c1-12-6-2-10(3-7-12)13-8-4-11-5-9-13/h10-11H,2-9H2,1H3
Names and Synonyms
- 1-(1-Methyl-4-Piperidinyl)Piperazine Synonym
- Piperazine, 1-(1-methyl-4-piperidinyl)- Synonym
- Piperazine, 1-(1-methyl-4-piperidyl)- Synonym
- 1-(1-Methyl-4-piperidinyl)piperazine Synonym
- 1-(N-Methylpiperidin-4-yl)piperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.30 g/mol | CAS Common Chemistry |
| 183.29899999999995 g/mol | RDKit | |
| 183.299 g/mol | RDKit | |
| Canonical SMILES | N1CCN(CC1)C2CCN(C)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H21N3/c1-12-6-2-10(3-7-12)13-8-4-11-5-9-13/h10-11H,2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OHUMKYGINIODOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1-Methyl-4-piperidinyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.509999999999998 Ų | RDKit |
| 18.51 Ų | RDKit | |
| 18.05 Ų | chempirical lib | |
| LogP | -0.014199999999999546 | RDKit |
| -0.0142 | RDKit | |
| Molar Refractivity | 54.96170000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 183.17354767199998 g/mol | RDKit |
| Boiling Point | 102-110 °C @ 0.1 Torr | CAS Common Chemistry |
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
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MW = 183.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H21N3.
