4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile

C15H18N2O — CID 4230056

IUPAC4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile
SMILESCC1CC(C)CN(C(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C15H18N2O/c1-11-7-12(2)10-17(9-11)15(18)14-5-3-13(8-16)4-6-14/h3-6,11-12H,7,9-10H2,1-2H3
InChIKeyZOXBSFNCRSTDQP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.68
Rot. Bonds1

About 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile

4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile (PubChem CID 4230056) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile
PubChem CID4230056
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile
SMILESCC1CC(C)CN(C(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C15H18N2O/c1-11-7-12(2)10-17(9-11)15(18)14-5-3-13(8-16)4-6-14/h3-6,11-12H,7,9-10H2,1-2H3
InChIKeyZOXBSFNCRSTDQP-UHFFFAOYSA-N
XLogP2.68
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile?
The IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile (CID 4230056) is 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile.
What is the SMILES notation for 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile?
The canonical SMILES for 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile is CC1CC(C)CN(C(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile?
The InChIKey is ZOXBSFNCRSTDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-7-12(2)10-17(9-11)15(18)14-5-3-13(8-16)4-6-14/h3-6,11-12H,7,9-10H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile?
4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidine-1-carbonyl)benzonitrile is sourced from PubChem (CID 4230056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).