4-piperidin-1-ylcyclohexene-1-carbonitrile

C12H18N2 — CID 66607603

IUPAC4-piperidin-1-ylcyclohexene-1-carbonitrile
SMILESN#CC1=CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H18N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4,12H,1-3,5-9H2
InChIKeyHYUKQWXRRBAQSK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.47
Rot. Bonds1

About 4-piperidin-1-ylcyclohexene-1-carbonitrile

4-piperidin-1-ylcyclohexene-1-carbonitrile (PubChem CID 66607603) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-piperidin-1-ylcyclohexene-1-carbonitrile.

Molecular Properties

Compound Name4-piperidin-1-ylcyclohexene-1-carbonitrile
PubChem CID66607603
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-piperidin-1-ylcyclohexene-1-carbonitrile
SMILESN#CC1=CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H18N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4,12H,1-3,5-9H2
InChIKeyHYUKQWXRRBAQSK-UHFFFAOYSA-N
XLogP2.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylcyclohexene-1-carbonitrile?
The IUPAC name of 4-piperidin-1-ylcyclohexene-1-carbonitrile (CID 66607603) is 4-piperidin-1-ylcyclohexene-1-carbonitrile.
What is the SMILES notation for 4-piperidin-1-ylcyclohexene-1-carbonitrile?
The canonical SMILES for 4-piperidin-1-ylcyclohexene-1-carbonitrile is N#CC1=CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-ylcyclohexene-1-carbonitrile?
The InChIKey is HYUKQWXRRBAQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4,12H,1-3,5-9H2.
What are the key properties of 4-piperidin-1-ylcyclohexene-1-carbonitrile?
4-piperidin-1-ylcyclohexene-1-carbonitrile has a molecular weight of 190.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylcyclohexene-1-carbonitrile is sourced from PubChem (CID 66607603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).