1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile

C16H28N2 — CID 59888731

IUPAC1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1CN(C2CCC(C)(C#N)C2)CC(C)C1(C)C
InChIInChI=1S/C16H28N2/c1-12-9-18(10-13(2)15(12,3)4)14-6-7-16(5,8-14)11-17/h12-14H,6-10H2,1-5H3
InChIKeyOAHHNYMDXJDFGL-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.68
Rot. Bonds1

About 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile

1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 59888731) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID59888731
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1CN(C2CCC(C)(C#N)C2)CC(C)C1(C)C
InChIInChI=1S/C16H28N2/c1-12-9-18(10-13(2)15(12,3)4)14-6-7-16(5,8-14)11-17/h12-14H,6-10H2,1-5H3
InChIKeyOAHHNYMDXJDFGL-UHFFFAOYSA-N
XLogP3.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile (CID 59888731) is 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile is CC1CN(C2CCC(C)(C#N)C2)CC(C)C1(C)C.
What is the InChIKey of 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is OAHHNYMDXJDFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-9-18(10-13(2)15(12,3)4)14-6-7-16(5,8-14)11-17/h12-14H,6-10H2,1-5H3.
What are the key properties of 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 248.41 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,4,4,5-tetramethylpiperidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 59888731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).