1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile

C18H17FN2 — CID 135324308

IUPAC1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C18H17FN2/c19-17-5-1-15(2-6-17)16-3-7-18(8-4-16)21-11-9-14(13-20)10-12-21/h1-8,14H,9-12H2
InChIKeyBLKJXMQMUXUFRU-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.23
Rot. Bonds2

About 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile

1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile (PubChem CID 135324308) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile
PubChem CID135324308
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C18H17FN2/c19-17-5-1-15(2-6-17)16-3-7-18(8-4-16)21-11-9-14(13-20)10-12-21/h1-8,14H,9-12H2
InChIKeyBLKJXMQMUXUFRU-UHFFFAOYSA-N
XLogP4.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile (CID 135324308) is 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile is N#CC1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile?
The InChIKey is BLKJXMQMUXUFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c19-17-5-1-15(2-6-17)16-3-7-18(8-4-16)21-11-9-14(13-20)10-12-21/h1-8,14H,9-12H2.
What are the key properties of 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile?
1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile has a molecular weight of 280.35 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile is sourced from PubChem (CID 135324308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).