1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one

C19H29FN2O2 — CID 45214632

IUPAC1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C19H29FN2O2/c1-18(2,3)13-22-11-5-10-19(24,17(22)23)14-21(4)12-15-6-8-16(20)9-7-15/h6-9,24H,5,10-14H2,1-4H3
InChIKeyBGSMDKVTZZERLF-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.66
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one

1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 45214632) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
PubChem CID45214632
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C19H29FN2O2/c1-18(2,3)13-22-11-5-10-19(24,17(22)23)14-21(4)12-15-6-8-16(20)9-7-15/h6-9,24H,5,10-14H2,1-4H3
InChIKeyBGSMDKVTZZERLF-UHFFFAOYSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-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-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one (CID 45214632) is 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one is CN(Cc1ccc(F)cc1)CC1(O)CCCN(CC(C)(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The InChIKey is BGSMDKVTZZERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-18(2,3)13-22-11-5-10-19(24,17(22)23)14-21(4)12-15-6-8-16(20)9-7-15/h6-9,24H,5,10-14H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 336.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45214632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).