2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile

C14H24N2O — CID 106710587

IUPAC2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile
SMILESCC1CN(CCCCC(C)(C)C#N)CCC1=O
InChIInChI=1S/C14H24N2O/c1-12-10-16(9-6-13(12)17)8-5-4-7-14(2,3)11-15/h12H,4-10H2,1-3H3
InChIKeyVPBLDHFSZBJGPS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.62
Rot. Bonds5

About 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile

2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile (PubChem CID 106710587) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile
PubChem CID106710587
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile
SMILESCC1CN(CCCCC(C)(C)C#N)CCC1=O
InChIInChI=1S/C14H24N2O/c1-12-10-16(9-6-13(12)17)8-5-4-7-14(2,3)11-15/h12H,4-10H2,1-3H3
InChIKeyVPBLDHFSZBJGPS-UHFFFAOYSA-N
XLogP2.62
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-6-(4-methyl-2-oxopyrrolidin-1-yl)hexanenitrile
CID 106710243
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one
CID 114500199
N-methyl-4-(3-methyl-4-oxopiperidin-1-yl)butanamide
CID 114500379
1-(4-cyano-4-methylpentyl)pyrrolidine-3-carboxylic acid
CID 65255418
6-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylhexanenitrile
CID 106713819
2,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)hexanenitrile
CID 106709915
6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexanenitrile
CID 106709889
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
CID 106713456

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile (CID 106710587) is 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile is CC1CN(CCCCC(C)(C)C#N)CCC1=O.
What is the InChIKey of 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile?
The InChIKey is VPBLDHFSZBJGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-10-16(9-6-13(12)17)8-5-4-7-14(2,3)11-15/h12H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile?
2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile has a molecular weight of 236.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile is sourced from PubChem (CID 106710587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).