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Piperidine

CAS: 110-89-4 | C5H11N

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 110-89-4
Molecular Formula: C5H11N
Molecular Weight: 85.15 g/mol

Names and Synonyms:

Piperidine Synonym
Piperidine Synonym
Azacyclohexane Synonym
Cyclopentimine Synonym
Cypentil Synonym
Hexahydropyridine Synonym
Hexazane Synonym
Pentamethylenimine Synonym
Pyridine, hexahydro- Synonym
Perhydropyridine Synonym

Identifiers:

SMILES:
C1CCNCC1
InChI:
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 85.15 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 85.08914935199999 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 6 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 12.03 Ų RDKit

Physical Properties

Property Value Source
LogP 0.7599 RDKit
molecular_mass 85.15 g/mol Legacy Database
density 0.86 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Piperidine None Legacy Database
cas-boiling-point 106 °C @ Press: 760 Torr None Legacy Database
cas-canonical-smile N1CCCCC1 None Legacy Database
cas-density 0.8622 g/cm3 @ Temp: 20 °C None Legacy Database
cas-inchi InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 None Legacy Database
cas-inchi-key InChIKey=NQRYJNQNLNOLGT-UHFFFAOYSA-N None Legacy Database
cas-melting-point -7 °C None Legacy Database
cas-name Piperidine None Legacy Database
wikipedia-name Piperidine None Legacy Database

Molar

Property Value Source
Molar Refractivity 26.72069999999999 RDKit

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