1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile

C13H19F3N2 — CID 64756742

IUPAC1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(N2CCCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2/c14-13(15,16)11-4-6-12(10-17,7-5-11)18-8-2-1-3-9-18/h11H,1-9H2
InChIKeyIXSILVNYQHVPND-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.49
Rot. Bonds1

About 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile

1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile (PubChem CID 64756742) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile
PubChem CID64756742
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(N2CCCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2/c14-13(15,16)11-4-6-12(10-17,7-5-11)18-8-2-1-3-9-18/h11H,1-9H2
InChIKeyIXSILVNYQHVPND-UHFFFAOYSA-N
XLogP3.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidinocyclohexanecarbonitrile
CID 62529
4-(4-Fluoropiperidin-1-yl)cyclohexane-1-carbonitrile
CID 20268613
1-(4-Fluoropiperidin-1-yl)cyclohexanecarbonitrile
CID 89500952
1-(4,4-Difluoropiperidin-1-yl)cyclohexane-1-carbonitrile
CID 117738370
2-[1-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]acetonitrile
CID 132100704
2-[4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclohexyl]acetonitrile
CID 132101537
4-Fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile
CID 134567227
(2R)-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 143290988
2-[4-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexyl]acetonitrile
CID 145394763
Propane;2-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]acetonitrile
CID 145395008
2-[4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclohexyl]acetonitrile
CID 164111396
2-[4-[3-Ethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]acetonitrile
CID 166883339

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile (CID 64756742) is 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile is N#CC1(N2CCCCC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile?
The InChIKey is IXSILVNYQHVPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c14-13(15,16)11-4-6-12(10-17,7-5-11)18-8-2-1-3-9-18/h11H,1-9H2.
What are the key properties of 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile?
1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 64756742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).