4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride

C12H14ClFN2 — CID 18326606

IUPAC4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C12H13FN2.ClH/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;/h1-4,15H,5-8H2;1H
InChIKeyZUWLTGSYSRYOBA-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.39
Rot. Bonds1

About 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride

4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride (PubChem CID 18326606) has the molecular formula C12H14ClFN2 and a molecular weight of 240.71 g/mol. Its IUPAC name is 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
PubChem CID18326606
Molecular FormulaC12H14ClFN2
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC Name4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C12H13FN2.ClH/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;/h1-4,15H,5-8H2;1H
InChIKeyZUWLTGSYSRYOBA-UHFFFAOYSA-N
XLogP2.39
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride (CID 18326606) is 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride is Cl.N#CC1(c2ccc(F)cc2)CCNCC1.
What is the InChIKey of 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride?
The InChIKey is ZUWLTGSYSRYOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2.ClH/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;/h1-4,15H,5-8H2;1H.
What are the key properties of 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride?
4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride has a molecular weight of 240.71 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)piperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 18326606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).