1-benzyl-6,6-dimethylpiperidine-3-carbonitrile

C15H20N2 — CID 117021153

IUPAC1-benzyl-6,6-dimethylpiperidine-3-carbonitrile
SMILESCC1(C)CCC(C#N)CN1Cc1ccccc1
InChIInChI=1S/C15H20N2/c1-15(2)9-8-14(10-16)12-17(15)11-13-6-4-3-5-7-13/h3-7,14H,8-9,11-12H2,1-2H3
InChIKeyROSGHDPXIHBNIM-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.20
Rot. Bonds2

About 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile

1-benzyl-6,6-dimethylpiperidine-3-carbonitrile (PubChem CID 117021153) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-6,6-dimethylpiperidine-3-carbonitrile
PubChem CID117021153
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-benzyl-6,6-dimethylpiperidine-3-carbonitrile
SMILESCC1(C)CCC(C#N)CN1Cc1ccccc1
InChIInChI=1S/C15H20N2/c1-15(2)9-8-14(10-16)12-17(15)11-13-6-4-3-5-7-13/h3-7,14H,8-9,11-12H2,1-2H3
InChIKeyROSGHDPXIHBNIM-UHFFFAOYSA-N
XLogP3.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-6,6-dimethylpiperidine-3-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

1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253
2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol
CID 117021321
1-benzylazetidine-3-carbonitrile
CID 19814762
1-benzylpiperidine-3-carbonitrile
CID 22931257
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile
CID 117021196
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
1-[2-(4-benzylpiperazin-1-yl)ethyl]piperidine-3-carbonitrile
CID 91837142
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile?
The IUPAC name of 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile (CID 117021153) is 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile?
The canonical SMILES for 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile is CC1(C)CCC(C#N)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile?
The InChIKey is ROSGHDPXIHBNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2)9-8-14(10-16)12-17(15)11-13-6-4-3-5-7-13/h3-7,14H,8-9,11-12H2,1-2H3.
What are the key properties of 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile?
1-benzyl-6,6-dimethylpiperidine-3-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,6-dimethylpiperidine-3-carbonitrile is sourced from PubChem (CID 117021153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).