3-(3-methylpiperidin-1-yl)pentanenitrile

C11H20N2 — CID 15020041

IUPAC3-(3-methylpiperidin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CCCC(C)C1
InChIInChI=1S/C11H20N2/c1-3-11(6-7-12)13-8-4-5-10(2)9-13/h10-11H,3-6,8-9H2,1-2H3
InChIKeyPNDDLPDANRCMKH-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds3

About 3-(3-methylpiperidin-1-yl)pentanenitrile

3-(3-methylpiperidin-1-yl)pentanenitrile (PubChem CID 15020041) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)pentanenitrile
PubChem CID15020041
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-(3-methylpiperidin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CCCC(C)C1
InChIInChI=1S/C11H20N2/c1-3-11(6-7-12)13-8-4-5-10(2)9-13/h10-11H,3-6,8-9H2,1-2H3
InChIKeyPNDDLPDANRCMKH-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-3-carbonitrile
CID 18941139
2-(3-Methylpiperidino)acetonitrile
CID 22688888
2-(3,5-Dimethylpiperidin-1-yl)acetonitrile
CID 22688895
1-tert-butyl-N,N,3-trimethyl-4-piperidinamine dihydrochloride
CID 2827012
4-Dimethylamino-4-cyano-1,2,5-trimethylpiperidine
CID 550733
3-(Piperidin-1-yl)butanenitrile
CID 12040759
2-Methyl-3-piperidin-1-ylpropanenitrile
CID 13401685
1,2-Dimethylpiperidine-2-carbonitrile
CID 68496862
4-Dimethylamino-1,3-dimethylpiperidine
CID 119028717
2-(1-Methylpiperidin-4-yl)propanedinitrile
CID 58855
4-Fluoro-1-propan-2-ylpiperidine-4-carbonitrile
CID 131106731
(6R)-4-fluoro-1,6-dimethylpiperidine-3-carbonitrile
CID 155003901

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 3-(3-methylpiperidin-1-yl)pentanenitrile (CID 15020041) is 3-(3-methylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)pentanenitrile is CCC(CC#N)N1CCCC(C)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)pentanenitrile?
The InChIKey is PNDDLPDANRCMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-11(6-7-12)13-8-4-5-10(2)9-13/h10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(3-methylpiperidin-1-yl)pentanenitrile?
3-(3-methylpiperidin-1-yl)pentanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 15020041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).