1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one

C17H25FN2O2 — CID 45193805

IUPAC1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
SMILESCC(C)CNCC1(O)CCCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H25FN2O2/c1-13(2)10-19-12-17(22)8-3-9-20(16(17)21)11-14-4-6-15(18)7-5-14/h4-7,13,19,22H,3,8-12H2,1-2H3
InChIKeyCSDCGQUIZFMFEH-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.92
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one (PubChem CID 45193805) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
PubChem CID45193805
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
SMILESCC(C)CNCC1(O)CCCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H25FN2O2/c1-13(2)10-19-12-17(22)8-3-9-20(16(17)21)11-14-4-6-15(18)7-5-14/h4-7,13,19,22H,3,8-12H2,1-2H3
InChIKeyCSDCGQUIZFMFEH-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-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-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one (CID 45193805) is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one is CC(C)CNCC1(O)CCCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
The InChIKey is CSDCGQUIZFMFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13(2)10-19-12-17(22)8-3-9-20(16(17)21)11-14-4-6-15(18)7-5-14/h4-7,13,19,22H,3,8-12H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one has a molecular weight of 308.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one is sourced from PubChem (CID 45193805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).