1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile

C13H13F3N2 — CID 117003363

IUPAC1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H13F3N2/c14-13(15,16)11-3-1-2-4-12(11)18-7-5-10(9-17)6-8-18/h1-4,10H,5-8H2
InChIKeySNJWESYUSRPNNF-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.45
Rot. Bonds1

About 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile

1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile (PubChem CID 117003363) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
PubChem CID117003363
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H13F3N2/c14-13(15,16)11-3-1-2-4-12(11)18-7-5-10(9-17)6-8-18/h1-4,10H,5-8H2
InChIKeySNJWESYUSRPNNF-UHFFFAOYSA-N
XLogP3.45
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315016
3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine
CID 79737048
(3R,5R)-3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 94502238
3-amino-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carbonitrile
CID 117013006
3-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)benzonitrile
CID 133381276
N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315015
2-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 79371880
1-(2-chloroethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-diazepane
CID 63392309
6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine
CID 139693229
1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
CID 122436156
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]-4-(trifluoromethyl)benzonitrile
CID 129446262

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile (CID 117003363) is 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile is N#CC1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile?
The InChIKey is SNJWESYUSRPNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c14-13(15,16)11-3-1-2-4-12(11)18-7-5-10(9-17)6-8-18/h1-4,10H,5-8H2.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile?
1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile has a molecular weight of 254.25 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile is sourced from PubChem (CID 117003363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).