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1-Methyl-3-Piperidinemethanol
CAS: 7583-53-1 | C7H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7583-53-1
Molecular Formula:
C7H15NO
Molecular Weight:
129.20299999999997 g/mol
Names and Synonyms:
1-Methyl-3-Piperidinemethanol
1-Methyl-3-hydroxymethylpiperidine
N-Methyl-3-hydroxymethylpiperidine
NSC 66541
3-Hydroxymethyl-N-methylpiperidine
(1-Methylpiperidin-3-yl)methanol
N-Methylpiperidine-3-methanol
3-(Hydroxymethyl)-1-methylpiperidine
1-Methyl-3-piperidinemethanol
3-Piperidinemethanol, 1-methyl-
Identifiers:
SMILES:
CN1CCCC(CO)C1
InChI:
InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3
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 |
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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
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 129.20 g/mol | Legacy Database |
density | 0.96 g/cm³ | Legacy Database |
cas-boiling-point | 142.5 °C None | Legacy Database |
cas-canonical-smile | OCC1CN(C)CCC1 None | Legacy Database |
cas-density | 0.9649 g/cm3 None | Legacy Database |
cas-inchi | InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3 None | Legacy Database |
cas-inchi-key | InChIKey=UGXQXVDTGJCQHR-UHFFFAOYSA-N None | Legacy Database |
cas-name | 1-Methyl-3-piperidinemethanol None | Legacy Database |
LogP | 0.32050000000000006 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 129.20299999999997 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 129.1153641 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 9 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 23.47 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 37.306799999999996 | RDKit |