1-benzylpiperidine-2-carbonitrile

C13H16N2 — CID 10878182

IUPAC1-benzylpiperidine-2-carbonitrile
SMILESN#CC1CCCCN1Cc1ccccc1
InChIInChI=1S/C13H16N2/c14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-9,11H2
InChIKeyBOTBFZOLULDADO-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.56
Rot. Bonds2

About 1-benzylpiperidine-2-carbonitrile

1-benzylpiperidine-2-carbonitrile (PubChem CID 10878182) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-benzylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name1-benzylpiperidine-2-carbonitrile
PubChem CID10878182
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-benzylpiperidine-2-carbonitrile
SMILESN#CC1CCCCN1Cc1ccccc1
InChIInChI=1S/C13H16N2/c14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-9,11H2
InChIKeyBOTBFZOLULDADO-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine-2-carbonitrile?
The IUPAC name of 1-benzylpiperidine-2-carbonitrile (CID 10878182) is 1-benzylpiperidine-2-carbonitrile.
What is the SMILES notation for 1-benzylpiperidine-2-carbonitrile?
The canonical SMILES for 1-benzylpiperidine-2-carbonitrile is N#CC1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzylpiperidine-2-carbonitrile?
The InChIKey is BOTBFZOLULDADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-9,11H2.
What are the key properties of 1-benzylpiperidine-2-carbonitrile?
1-benzylpiperidine-2-carbonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine-2-carbonitrile is sourced from PubChem (CID 10878182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).