3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile

C11H20N2 — CID 14356853

IUPAC3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile
SMILESCC(C)N1CCCC(C)(C)C1C#N
InChIInChI=1S/C11H20N2/c1-9(2)13-7-5-6-11(3,4)10(13)8-12/h9-10H,5-7H2,1-4H3
InChIKeyIJBPPYQOEMPQIE-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds1

About 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile

3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile (PubChem CID 14356853) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile
PubChem CID14356853
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile
SMILESCC(C)N1CCCC(C)(C)C1C#N
InChIInChI=1S/C11H20N2/c1-9(2)13-7-5-6-11(3,4)10(13)8-12/h9-10H,5-7H2,1-4H3
InChIKeyIJBPPYQOEMPQIE-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-Dimethylamino-4-cyano-1,2,5-trimethylpiperidine
CID 550733
Piperidine, 1,2,5,5-tetramethyl-
CID 12172229
1,2-Dimethylpiperidine-2-carbonitrile
CID 68496862
4-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]-4-ethylhexanenitrile
CID 164641985
3-Ethyl-1-methylpiperidine-2-carbonitrile
CID 12581464
1,2,6-Trimethylpiperidine-2-carbonitrile
CID 162414463
1-(3-Fluoropropyl)-4-methylpiperidine-4-carbonitrile
CID 103993911
1-Butan-2-yl-4-fluoropiperidine-4-carbonitrile
CID 130666869
1-(3-Fluoropropyl)-3-methylpiperidine-3-carbonitrile
CID 130684609
3-Ethyl-2-(1-piperidinyl)cyclobutanecarbonitrile
CID 5216821
1-(tert-Butyl)-2-cyano-3-methyl-piperidine
CID 596551
1-(tert-Butyl)-2-cyano-3,3-dimethylpiperidine
CID 601512

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile?
The IUPAC name of 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile (CID 14356853) is 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile?
The canonical SMILES for 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile is CC(C)N1CCCC(C)(C)C1C#N.
What is the InChIKey of 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile?
The InChIKey is IJBPPYQOEMPQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)13-7-5-6-11(3,4)10(13)8-12/h9-10H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile?
3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-ylpiperidine-2-carbonitrile is sourced from PubChem (CID 14356853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).