1,2-Dimethylpiperidine-2-carbonitrile

C8H14N2 — CID 68496862

IUPAC1,2-dimethylpiperidine-2-carbonitrile
SMILESCC1(CCCCN1C)C#N
InChIInChI=1S/C8H14N2/c1-8(7-9)5-3-4-6-10(8)2/h3-6H2,1-2H3
InChIKeyDAZZEYWJKOTOKS-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.10
Rot. Bonds

About 1,2-Dimethylpiperidine-2-carbonitrile

1,2-Dimethylpiperidine-2-carbonitrile (PubChem CID 68496862) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,2-dimethylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name1,2-Dimethylpiperidine-2-carbonitrile
PubChem CID68496862
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,2-dimethylpiperidine-2-carbonitrile
SMILESCC1(CCCCN1C)C#N
InChIInChI=1S/C8H14N2/c1-8(7-9)5-3-4-6-10(8)2/h3-6H2,1-2H3
InChIKeyDAZZEYWJKOTOKS-UHFFFAOYSA-N
XLogP1.10
TPSA27.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity167

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-Dimethylpiperidine-2-carbonitrile?
The IUPAC name of 1,2-Dimethylpiperidine-2-carbonitrile (CID 68496862) is 1,2-dimethylpiperidine-2-carbonitrile.
What is the SMILES notation for 1,2-Dimethylpiperidine-2-carbonitrile?
The canonical SMILES for 1,2-Dimethylpiperidine-2-carbonitrile is CC1(CCCCN1C)C#N.
What is the InChIKey of 1,2-Dimethylpiperidine-2-carbonitrile?
The InChIKey is DAZZEYWJKOTOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(7-9)5-3-4-6-10(8)2/h3-6H2,1-2H3.
What are the key properties of 1,2-Dimethylpiperidine-2-carbonitrile?
1,2-Dimethylpiperidine-2-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-Dimethylpiperidine-2-carbonitrile is sourced from PubChem (CID 68496862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).