4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile

C15H20N2 — CID 117025414

IUPAC4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile
SMILESCc1ccccc1N1CCC(C)(C)C(C#N)C1
InChIInChI=1S/C15H20N2/c1-12-6-4-5-7-14(12)17-9-8-15(2,3)13(10-16)11-17/h4-7,13H,8-9,11H2,1-3H3
InChIKeyQRNYHGUJKULGDX-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.37
Rot. Bonds1

About 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile

4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile (PubChem CID 117025414) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile
PubChem CID117025414
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile
SMILESCc1ccccc1N1CCC(C)(C)C(C#N)C1
InChIInChI=1S/C15H20N2/c1-12-6-4-5-7-14(12)17-9-8-15(2,3)13(10-16)11-17/h4-7,13H,8-9,11H2,1-3H3
InChIKeyQRNYHGUJKULGDX-UHFFFAOYSA-N
XLogP3.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
CID 117025421
N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine
CID 117025339
[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117025837
1-(3-acetylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
CID 117025447
2-[1-(2-bromophenyl)-4,4-dimethylpiperidin-3-yl]acetonitrile
CID 117025663
2-[1-(2,5-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]acetonitrile
CID 117025645
1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine
CID 117025919
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
1-ethyl-4,4-dimethylpiperidine-3-carbonitrile
CID 117025384
1-(2-fluorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025105
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile?
The IUPAC name of 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile (CID 117025414) is 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile?
The canonical SMILES for 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile is Cc1ccccc1N1CCC(C)(C)C(C#N)C1.
What is the InChIKey of 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile?
The InChIKey is QRNYHGUJKULGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-6-4-5-7-14(12)17-9-8-15(2,3)13(10-16)11-17/h4-7,13H,8-9,11H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile?
4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile is sourced from PubChem (CID 117025414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).