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

C15H20N2 — CID 117019367

IUPAC2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile
SMILESCc1ccc(N2CCCC(C#N)C2(C)C)cc1
InChIInChI=1S/C15H20N2/c1-12-6-8-14(9-7-12)17-10-4-5-13(11-16)15(17,2)3/h6-9,13H,4-5,10H2,1-3H3
InChIKeyXSJSZNXZDXIRAX-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.51
Rot. Bonds1

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

2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile (PubChem CID 117019367) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile
PubChem CID117019367
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile
SMILESCc1ccc(N2CCCC(C#N)C2(C)C)cc1
InChIInChI=1S/C15H20N2/c1-12-6-8-14(9-7-12)17-10-4-5-13(11-16)15(17,2)3/h6-9,13H,4-5,10H2,1-3H3
InChIKeyXSJSZNXZDXIRAX-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile?
The IUPAC name of 2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile (CID 117019367) is 2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile?
The canonical SMILES for 2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile is Cc1ccc(N2CCCC(C#N)C2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile?
The InChIKey is XSJSZNXZDXIRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-6-8-14(9-7-12)17-10-4-5-13(11-16)15(17,2)3/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile?
2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile is sourced from PubChem (CID 117019367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).