1-benzyl-3-hydroxypiperidine-4-carbonitrile

C13H16N2O — CID 74321265

IUPAC1-benzyl-3-hydroxypiperidine-4-carbonitrile
SMILESN#CC1CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C13H16N2O/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-7,9-10H2
InChIKeyXZYDMOVDIBVPOL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.39
Rot. Bonds2

About 1-benzyl-3-hydroxypiperidine-4-carbonitrile

1-benzyl-3-hydroxypiperidine-4-carbonitrile (PubChem CID 74321265) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-benzyl-3-hydroxypiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-benzyl-3-hydroxypiperidine-4-carbonitrile
PubChem CID74321265
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-benzyl-3-hydroxypiperidine-4-carbonitrile
SMILESN#CC1CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C13H16N2O/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-7,9-10H2
InChIKeyXZYDMOVDIBVPOL-UHFFFAOYSA-N
XLogP1.39
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxypiperidine-4-carbonitrile?
The IUPAC name of 1-benzyl-3-hydroxypiperidine-4-carbonitrile (CID 74321265) is 1-benzyl-3-hydroxypiperidine-4-carbonitrile.
What is the SMILES notation for 1-benzyl-3-hydroxypiperidine-4-carbonitrile?
The canonical SMILES for 1-benzyl-3-hydroxypiperidine-4-carbonitrile is N#CC1CCN(Cc2ccccc2)CC1O.
What is the InChIKey of 1-benzyl-3-hydroxypiperidine-4-carbonitrile?
The InChIKey is XZYDMOVDIBVPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-7,9-10H2.
What are the key properties of 1-benzyl-3-hydroxypiperidine-4-carbonitrile?
1-benzyl-3-hydroxypiperidine-4-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxypiperidine-4-carbonitrile is sourced from PubChem (CID 74321265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).