2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile

C15H18N2O — CID 3024909

IUPAC2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile
SMILESCC(C#N)N1CCC(C=O)(c2ccccc2)CC1
InChIInChI=1S/C15H18N2O/c1-13(11-16)17-9-7-15(12-18,8-10-17)14-5-3-2-4-6-14/h2-6,12-13H,7-10H2,1H3
InChIKeyVCODVGZKBQPXCG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile

2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile (PubChem CID 3024909) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile
PubChem CID3024909
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile
SMILESCC(C#N)N1CCC(C=O)(c2ccccc2)CC1
InChIInChI=1S/C15H18N2O/c1-13(11-16)17-9-7-15(12-18,8-10-17)14-5-3-2-4-6-14/h2-6,12-13H,7-10H2,1H3
InChIKeyVCODVGZKBQPXCG-UHFFFAOYSA-N
XLogP2.13
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-benzhydryl-4-phenylpiperidine-4-carbaldehyde
CID 10428299
ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde
CID 143193860
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
3-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile
CID 21149882
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride
CID 138397800
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 63337799
(3R)-3-phenyloxolane-3-carbaldehyde
CID 98041318
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8749222
2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63339160
(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 94265650
4-cyano-1-(1-phenylethyl)piperidine-4-carboxylic acid
CID 117008017

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile?
The IUPAC name of 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile (CID 3024909) is 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile is CC(C#N)N1CCC(C=O)(c2ccccc2)CC1.
What is the InChIKey of 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile?
The InChIKey is VCODVGZKBQPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-13(11-16)17-9-7-15(12-18,8-10-17)14-5-3-2-4-6-14/h2-6,12-13H,7-10H2,1H3.
What are the key properties of 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile?
2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile has a molecular weight of 242.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 3024909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).