1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile

C14H13F3N2O — CID 39381919

IUPAC1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-3-1-11(2-4-12)13(20)19-7-5-10(9-18)6-8-19/h1-4,10H,5-8H2
InChIKeyBHNBUTANLVCMEZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.08
Rot. Bonds1

About 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile

1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile (PubChem CID 39381919) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
PubChem CID39381919
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-3-1-11(2-4-12)13(20)19-7-5-10(9-18)6-8-19/h1-4,10H,5-8H2
InChIKeyBHNBUTANLVCMEZ-UHFFFAOYSA-N
XLogP3.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carbonitrile
CID 118766885
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
1-[4-bromo-3-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 81449510
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121164835
4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 48955140
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile (CID 39381919) is 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile?
The InChIKey is BHNBUTANLVCMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)12-3-1-11(2-4-12)13(20)19-7-5-10(9-18)6-8-19/h1-4,10H,5-8H2.
What are the key properties of 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile?
1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile has a molecular weight of 282.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 39381919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).