5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one

C18H26FNO2 — CID 67739998

IUPAC5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
SMILESCC(=O)C(CC(c1ccc(F)cc1)N1CCCCC1)C(C)O
InChIInChI=1S/C18H26FNO2/c1-13(21)17(14(2)22)12-18(20-10-4-3-5-11-20)15-6-8-16(19)9-7-15/h6-9,13,17-18,21H,3-5,10-12H2,1-2H3
InChIKeyBSWKYCZVCSVVPV-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.33
Rot. Bonds6

About 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one

5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one (PubChem CID 67739998) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
PubChem CID67739998
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
SMILESCC(=O)C(CC(c1ccc(F)cc1)N1CCCCC1)C(C)O
InChIInChI=1S/C18H26FNO2/c1-13(21)17(14(2)22)12-18(20-10-4-3-5-11-20)15-6-8-16(19)9-7-15/h6-9,13,17-18,21H,3-5,10-12H2,1-2H3
InChIKeyBSWKYCZVCSVVPV-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-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

Related Compounds

2-[(2S,3R)-1-(2,8-dimethylnonan-5-yl)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetic acid
CID 24963625
4-Piperidone, 1-equatorial,3-axial-dimethyl-6-equatorial-(o-fluorophenyl)-3-equatorial-hydroxy-, hydrochloride
CID 3050453
2-[(2S,3R)-4,4-difluoro-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetic acid
CID 46225338
1-Benzyl-3-(1-hydroxyheptyl)piperidin-2-one
CID 76312467
6-(4-Fluorophenyl)-3a-hydroxy-1,3-dimethyl-4-piperidone
CID 591534
1-(alpha-Cyclopropylcarbonyl-2-fluorobenzyl)-4-hydroxypiperidine
CID 15462959
1-Cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 15462962
1-Cyclopropyl-2-(2-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 18703846
1-Cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 18703851
7-[(4-Fluorophenyl)methyl-methylamino]-8-methylnonanoic acid
CID 21319332
5,5-Bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one
CID 22413631
3-[2-(4-Fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one
CID 22413638

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one (CID 67739998) is 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one is CC(=O)C(CC(c1ccc(F)cc1)N1CCCCC1)C(C)O.
What is the InChIKey of 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one?
The InChIKey is BSWKYCZVCSVVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-13(21)17(14(2)22)12-18(20-10-4-3-5-11-20)15-6-8-16(19)9-7-15/h6-9,13,17-18,21H,3-5,10-12H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one?
5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one has a molecular weight of 307.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 67739998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).