[4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone

C19H20FNO2 — CID 20607573

IUPAC[4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2ccc(F)cc2)C(CO)C1
InChIInChI=1S/C19H20FNO2/c20-17-8-6-14(7-9-17)18-10-11-21(12-16(18)13-22)19(23)15-4-2-1-3-5-15/h1-9,16,18,22H,10-13H2
InChIKeyYCSMJLDUXDYHPW-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.06
Rot. Bonds3

About [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone

[4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone (PubChem CID 20607573) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
PubChem CID20607573
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name[4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2ccc(F)cc2)C(CO)C1
InChIInChI=1S/C19H20FNO2/c20-17-8-6-14(7-9-17)18-10-11-21(12-16(18)13-22)19(23)15-4-2-1-3-5-15/h1-9,16,18,22H,10-13H2
InChIKeyYCSMJLDUXDYHPW-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone 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

(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437062
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(4-fluoro-phenyl)-methanone
CID 1437837
(2,6-Difluoro-phenyl)-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-methanone
CID 1438295
[1-(2,6-Difluorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 2740740
(4-Fluorophenyl)-(3-phenylpiperidin-1-yl)methanone
CID 2894533
1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid
CID 4713643
4-Piperidinemethanol, 1-benzoyl-
CID 10262870
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(2-fluoro-phenyl)-methanone
CID 1437832
[1-(5-Chloro-2-fluorobenzoyl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 16188698
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882
{3-(2-Methylbenzyl)-1-[(2,3,6-trifluorophenyl)acetyl]piperidin-3-yl}methanol
CID 23723988

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone (CID 20607573) is [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(c2ccc(F)cc2)C(CO)C1.
What is the InChIKey of [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is YCSMJLDUXDYHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-8-6-14(7-9-17)18-10-11-21(12-16(18)13-22)19(23)15-4-2-1-3-5-15/h1-9,16,18,22H,10-13H2.
What are the key properties of [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
[4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 313.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 20607573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).