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1-(1-Methyl-4-Piperidinyl)Piperazine
CAS: 23995-88-2 | C10H21N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23995-88-2
Molecular Formula:
C10H21N3
Molecular Mass:
183.30 g/mol
Names and Synonyms:
1-(1-Methyl-4-Piperidinyl)Piperazine
Piperazine, 1-(1-methyl-4-piperidinyl)-
Piperazine, 1-(1-methyl-4-piperidyl)-
1-(1-Methyl-4-piperidinyl)piperazine
1-(N-Methylpiperidin-4-yl)piperazine
Identifiers:
SMILES:
CN1CCC(N2CCNCC2)CC1
InChI:
InChI=1S/C10H21N3/c1-12-6-2-10(3-7-12)13-8-4-11-5-9-13/h10-11H,2-9H2,1H3
Key Properties
Boiling Point
102-110 °C @ Press: 0.1 Torr
CAS Common Chemistry
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 | 183.30 g/mol | CAS Common Chemistry |
| 183.29899999999995 g/mol | RDKit | |
| 183.17354767199998 g/mol | RDKit | |
| Boiling Point | 102-110 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| 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 |
| LogP | -0.014199999999999546 | RDKit |
| Molar Refractivity | 54.96170000000004 | RDKit |
