3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile

C16H22N2 — CID 64536940

IUPAC3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile
SMILESCCC1CCCN(CC(C#N)c2ccccc2)C1
InChIInChI=1S/C16H22N2/c1-2-14-7-6-10-18(12-14)13-16(11-17)15-8-4-3-5-9-15/h3-5,8-9,14,16H,2,6-7,10,12-13H2,1H3
InChIKeySBQREHQYYFOWDB-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.42
Rot. Bonds4

About 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile

3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile (PubChem CID 64536940) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile
PubChem CID64536940
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile
SMILESCCC1CCCN(CC(C#N)c2ccccc2)C1
InChIInChI=1S/C16H22N2/c1-2-14-7-6-10-18(12-14)13-16(11-17)15-8-4-3-5-9-15/h3-5,8-9,14,16H,2,6-7,10,12-13H2,1H3
InChIKeySBQREHQYYFOWDB-UHFFFAOYSA-N
XLogP3.42
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile
CID 115302064
ethyl (3S)-1-(2-cyano-2-phenylethyl)piperidine-3-carboxylate
CID 115536524
2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile
CID 64538266
1-benzhydryl-3-ethylpiperidine
CID 22970041
1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
CID 62265432
3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
CID 64538451
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylpropanenitrile
CID 104967466
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 43584428
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylpropanenitrile
CID 64537868
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropanenitrile
CID 83228008

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile?
The IUPAC name of 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile (CID 64536940) is 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile?
The canonical SMILES for 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile is CCC1CCCN(CC(C#N)c2ccccc2)C1.
What is the InChIKey of 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile?
The InChIKey is SBQREHQYYFOWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-14-7-6-10-18(12-14)13-16(11-17)15-8-4-3-5-9-15/h3-5,8-9,14,16H,2,6-7,10,12-13H2,1H3.
What are the key properties of 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile?
3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile has a molecular weight of 242.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile is sourced from PubChem (CID 64536940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).