1-(4-methylpentyl)piperidine-3-carbonitrile

C12H22N2 — CID 83156656

IUPAC1-(4-methylpentyl)piperidine-3-carbonitrile
SMILESCC(C)CCCN1CCCC(C#N)C1
InChIInChI=1S/C12H22N2/c1-11(2)5-3-7-14-8-4-6-12(9-13)10-14/h11-12H,3-8,10H2,1-2H3
InChIKeyYQPNLLQSWYRUHX-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-methylpentyl)piperidine-3-carbonitrile

1-(4-methylpentyl)piperidine-3-carbonitrile (PubChem CID 83156656) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(4-methylpentyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methylpentyl)piperidine-3-carbonitrile
PubChem CID83156656
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(4-methylpentyl)piperidine-3-carbonitrile
SMILESCC(C)CCCN1CCCC(C#N)C1
InChIInChI=1S/C12H22N2/c1-11(2)5-3-7-14-8-4-6-12(9-13)10-14/h11-12H,3-8,10H2,1-2H3
InChIKeyYQPNLLQSWYRUHX-UHFFFAOYSA-N
XLogP2.66
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(4-methylpentyl)piperidine-3-carbonitrile (CID 83156656) is 1-(4-methylpentyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(4-methylpentyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(4-methylpentyl)piperidine-3-carbonitrile is CC(C)CCCN1CCCC(C#N)C1.
What is the InChIKey of 1-(4-methylpentyl)piperidine-3-carbonitrile?
The InChIKey is YQPNLLQSWYRUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)5-3-7-14-8-4-6-12(9-13)10-14/h11-12H,3-8,10H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)piperidine-3-carbonitrile?
1-(4-methylpentyl)piperidine-3-carbonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)piperidine-3-carbonitrile is sourced from PubChem (CID 83156656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).