1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile

C13H13F3N2 — CID 134863253

IUPAC1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile
SMILESN#CC1CCCCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2/c14-13(15,16)10-4-3-6-11(8-10)18-7-2-1-5-12(18)9-17/h3-4,6,8,12H,1-2,5,7H2
InChIKeyDELJLNOSZNIELD-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.59
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile

1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile (PubChem CID 134863253) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile
PubChem CID134863253
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile
SMILESN#CC1CCCCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2/c14-13(15,16)10-4-3-6-11(8-10)18-7-2-1-5-12(18)9-17/h3-4,6,8,12H,1-2,5,7H2
InChIKeyDELJLNOSZNIELD-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile (CID 134863253) is 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile is N#CC1CCCCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile?
The InChIKey is DELJLNOSZNIELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c14-13(15,16)10-4-3-6-11(8-10)18-7-2-1-5-12(18)9-17/h3-4,6,8,12H,1-2,5,7H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile?
1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile has a molecular weight of 254.25 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]piperidine-2-carbonitrile is sourced from PubChem (CID 134863253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).