1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one

C16H23NO — CID 2904340

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1CC(C)CN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13-10-14(2)12-17(11-13)16(18)9-8-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyLGSCIHFEPJZDTD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one

1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one (PubChem CID 2904340) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
PubChem CID2904340
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1CC(C)CN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13-10-14(2)12-17(11-13)16(18)9-8-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyLGSCIHFEPJZDTD-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-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-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one (CID 2904340) is 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one is CC1CC(C)CN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is LGSCIHFEPJZDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-10-14(2)12-17(11-13)16(18)9-8-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 2904340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).