4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride

C13H16ClFN2 — CID 167993690

IUPAC4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(Cc2ccccc2F)CCNCC1
InChIInChI=1S/C13H15FN2.ClH/c14-12-4-2-1-3-11(12)9-13(10-15)5-7-16-8-6-13;/h1-4,16H,5-9H2;1H
InChIKeyKSSNTWCGMSHEMG-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.68
Rot. Bonds2

About 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride

4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride (PubChem CID 167993690) has the molecular formula C13H16ClFN2 and a molecular weight of 254.74 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
PubChem CID167993690
Molecular FormulaC13H16ClFN2
Molecular Weight254.74 g/mol
Exact Mass254.10
IUPAC Name4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(Cc2ccccc2F)CCNCC1
InChIInChI=1S/C13H15FN2.ClH/c14-12-4-2-1-3-11(12)9-13(10-15)5-7-16-8-6-13;/h1-4,16H,5-9H2;1H
InChIKeyKSSNTWCGMSHEMG-UHFFFAOYSA-N
XLogP2.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride (CID 167993690) is 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride is Cl.N#CC1(Cc2ccccc2F)CCNCC1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
The InChIKey is KSSNTWCGMSHEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2.ClH/c14-12-4-2-1-3-11(12)9-13(10-15)5-7-16-8-6-13;/h1-4,16H,5-9H2;1H.
What are the key properties of 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride has a molecular weight of 254.74 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 167993690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).