6-(4-bromophenyl)piperidine-3-carbonitrile

C12H13BrN2 — CID 117168112

IUPAC6-(4-bromophenyl)piperidine-3-carbonitrile
SMILESN#CC1CCC(c2ccc(Br)cc2)NC1
InChIInChI=1S/C12H13BrN2/c13-11-4-2-10(3-5-11)12-6-1-9(7-14)8-15-12/h2-5,9,12,15H,1,6,8H2
InChIKeyFBDWBUYYBVJZFT-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.01
Rot. Bonds1

About 6-(4-bromophenyl)piperidine-3-carbonitrile

6-(4-bromophenyl)piperidine-3-carbonitrile (PubChem CID 117168112) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 6-(4-bromophenyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)piperidine-3-carbonitrile
PubChem CID117168112
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name6-(4-bromophenyl)piperidine-3-carbonitrile
SMILESN#CC1CCC(c2ccc(Br)cc2)NC1
InChIInChI=1S/C12H13BrN2/c13-11-4-2-10(3-5-11)12-6-1-9(7-14)8-15-12/h2-5,9,12,15H,1,6,8H2
InChIKeyFBDWBUYYBVJZFT-UHFFFAOYSA-N
XLogP3.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)piperidine-3-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)piperidine-3-carbonitrile (CID 117168112) is 6-(4-bromophenyl)piperidine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)piperidine-3-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)piperidine-3-carbonitrile is N#CC1CCC(c2ccc(Br)cc2)NC1.
What is the InChIKey of 6-(4-bromophenyl)piperidine-3-carbonitrile?
The InChIKey is FBDWBUYYBVJZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-11-4-2-10(3-5-11)12-6-1-9(7-14)8-15-12/h2-5,9,12,15H,1,6,8H2.
What are the key properties of 6-(4-bromophenyl)piperidine-3-carbonitrile?
6-(4-bromophenyl)piperidine-3-carbonitrile has a molecular weight of 265.15 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)piperidine-3-carbonitrile is sourced from PubChem (CID 117168112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).