1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one

C15H21NO — CID 45141807

IUPAC1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one
SMILESCc1cccc(C(=O)C(C)N2CCCCC2)c1
InChIInChI=1S/C15H21NO/c1-12-7-6-8-14(11-12)15(17)13(2)16-9-4-3-5-10-16/h6-8,11,13H,3-5,9-10H2,1-2H3
InChIKeyVMEDIUSDIYRUSA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds3

About 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one

1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one (PubChem CID 45141807) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one
PubChem CID45141807
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one
SMILESCc1cccc(C(=O)C(C)N2CCCCC2)c1
InChIInChI=1S/C15H21NO/c1-12-7-6-8-14(11-12)15(17)13(2)16-9-4-3-5-10-16/h6-8,11,13H,3-5,9-10H2,1-2H3
InChIKeyVMEDIUSDIYRUSA-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one (CID 45141807) is 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one is Cc1cccc(C(=O)C(C)N2CCCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one?
The InChIKey is VMEDIUSDIYRUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-7-6-8-14(11-12)15(17)13(2)16-9-4-3-5-10-16/h6-8,11,13H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one?
1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 45141807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).