(3,4-dimethylphenyl)-piperidin-1-ylmethanone

C14H19NO — CID 669700

IUPAC(3,4-dimethylphenyl)-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C14H19NO/c1-11-6-7-13(10-12(11)2)14(16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyOZSZVSREDOZENF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.93
Rot. Bonds1

About (3,4-dimethylphenyl)-piperidin-1-ylmethanone

(3,4-dimethylphenyl)-piperidin-1-ylmethanone (PubChem CID 669700) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-piperidin-1-ylmethanone
PubChem CID669700
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3,4-dimethylphenyl)-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C14H19NO/c1-11-6-7-13(10-12(11)2)14(16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyOZSZVSREDOZENF-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3,4-dimethylphenyl)-piperidin-1-ylmethanone (CID 669700) is (3,4-dimethylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3,4-dimethylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3,4-dimethylphenyl)-piperidin-1-ylmethanone is Cc1ccc(C(=O)N2CCCCC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-piperidin-1-ylmethanone?
The InChIKey is OZSZVSREDOZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-7-13(10-12(11)2)14(16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-piperidin-1-ylmethanone?
(3,4-dimethylphenyl)-piperidin-1-ylmethanone has a molecular weight of 217.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 669700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).