6-(2-fluorophenyl)piperidine-2-carbonitrile

C12H13FN2 — CID 117168253

IUPAC6-(2-fluorophenyl)piperidine-2-carbonitrile
SMILESN#CC1CCCC(c2ccccc2F)N1
InChIInChI=1S/C12H13FN2/c13-11-6-2-1-5-10(11)12-7-3-4-9(8-14)15-12/h1-2,5-6,9,12,15H,3-4,7H2
InChIKeyVWGFWXZOMPDQAA-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.53
Rot. Bonds1

About 6-(2-fluorophenyl)piperidine-2-carbonitrile

6-(2-fluorophenyl)piperidine-2-carbonitrile (PubChem CID 117168253) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 6-(2-fluorophenyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-fluorophenyl)piperidine-2-carbonitrile
PubChem CID117168253
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name6-(2-fluorophenyl)piperidine-2-carbonitrile
SMILESN#CC1CCCC(c2ccccc2F)N1
InChIInChI=1S/C12H13FN2/c13-11-6-2-1-5-10(11)12-7-3-4-9(8-14)15-12/h1-2,5-6,9,12,15H,3-4,7H2
InChIKeyVWGFWXZOMPDQAA-UHFFFAOYSA-N
XLogP2.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)piperidine-2-carbonitrile?
The IUPAC name of 6-(2-fluorophenyl)piperidine-2-carbonitrile (CID 117168253) is 6-(2-fluorophenyl)piperidine-2-carbonitrile.
What is the SMILES notation for 6-(2-fluorophenyl)piperidine-2-carbonitrile?
The canonical SMILES for 6-(2-fluorophenyl)piperidine-2-carbonitrile is N#CC1CCCC(c2ccccc2F)N1.
What is the InChIKey of 6-(2-fluorophenyl)piperidine-2-carbonitrile?
The InChIKey is VWGFWXZOMPDQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-11-6-2-1-5-10(11)12-7-3-4-9(8-14)15-12/h1-2,5-6,9,12,15H,3-4,7H2.
What are the key properties of 6-(2-fluorophenyl)piperidine-2-carbonitrile?
6-(2-fluorophenyl)piperidine-2-carbonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)piperidine-2-carbonitrile is sourced from PubChem (CID 117168253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).