3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile

C16H22N2 — CID 117024510

IUPAC3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile
SMILESCC1(C)CN(CCc2ccccc2)CCC1C#N
InChIInChI=1S/C16H22N2/c1-16(2)13-18(11-9-15(16)12-17)10-8-14-6-4-3-5-7-14/h3-7,15H,8-11,13H2,1-2H3
InChIKeyFNLRSGUXDLIKIG-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.10
Rot. Bonds3

About 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile

3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile (PubChem CID 117024510) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile
PubChem CID117024510
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile
SMILESCC1(C)CN(CCc2ccccc2)CCC1C#N
InChIInChI=1S/C16H22N2/c1-16(2)13-18(11-9-15(16)12-17)10-8-14-6-4-3-5-7-14/h3-7,15H,8-11,13H2,1-2H3
InChIKeyFNLRSGUXDLIKIG-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120776449
ethane;2-[4-methyl-1-(2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145395121
(3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 125493415
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
1,4-bis(2-phenylethyl)piperidine
CID 86059939
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile?
The IUPAC name of 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile (CID 117024510) is 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile is CC1(C)CN(CCc2ccccc2)CCC1C#N.
What is the InChIKey of 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile?
The InChIKey is FNLRSGUXDLIKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-16(2)13-18(11-9-15(16)12-17)10-8-14-6-4-3-5-7-14/h3-7,15H,8-11,13H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile?
3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 117024510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).