1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile

C16H22N2 — CID 13046858

IUPAC1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile
SMILESCC(C)CN1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C16H22N2/c1-14(2)12-18-10-8-16(13-17,9-11-18)15-6-4-3-5-7-15/h3-7,14H,8-12H2,1-2H3
InChIKeyBFMDDWDARNVCJG-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.20
Rot. Bonds3

About 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile

1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 13046858) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile
PubChem CID13046858
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile
SMILESCC(C)CN1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C16H22N2/c1-14(2)12-18-10-8-16(13-17,9-11-18)15-6-4-3-5-7-15/h3-7,14H,8-12H2,1-2H3
InChIKeyBFMDDWDARNVCJG-UHFFFAOYSA-N
XLogP3.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile (CID 13046858) is 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile is CC(C)CN1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is BFMDDWDARNVCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-14(2)12-18-10-8-16(13-17,9-11-18)15-6-4-3-5-7-15/h3-7,14H,8-12H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile?
1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 13046858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).