[4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone

C19H18FNO2 — CID 20607574

IUPAC[4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC=C(c2ccc(F)cc2)C(CO)C1
InChIInChI=1S/C19H18FNO2/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/h1-10,16,22H,11-13H2
InChIKeyVLUHYDOCCOBSOC-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.97
Rot. Bonds3

About [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone

[4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone (PubChem CID 20607574) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone
PubChem CID20607574
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name[4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC=C(c2ccc(F)cc2)C(CO)C1
InChIInChI=1S/C19H18FNO2/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/h1-10,16,22H,11-13H2
InChIKeyVLUHYDOCCOBSOC-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-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

N-Benzoyl-L-phenylalaninol
CID 852848
(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
N-(1-Hydroxy-3-Phenylpropan-2-Yl)Benzamide
CID 100005
4-Piperidinemethanol, 1-benzoyl-
CID 10262870
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(2-fluoro-phenyl)-methanone
CID 1437832
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882
(4-(2,4-Difluorophenethyl)piperidin-1-yl)(2-fluorophenyl)methanone
CID 44411664

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone (CID 20607574) is [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CC=C(c2ccc(F)cc2)C(CO)C1.
What is the InChIKey of [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The InChIKey is VLUHYDOCCOBSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/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/h1-10,16,22H,11-13H2.
What are the key properties of [4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone?
[4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone has a molecular weight of 311.36 g/mol, XLogP of 2.97, 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)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone is sourced from PubChem (CID 20607574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).