(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C17H22F2N2O2 — CID 70744529

IUPAC(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1F)N1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C17H22F2N2O2/c18-14-6-3-5-13(15(14)19)16(22)21-10-4-7-17(23,12-21)11-20-8-1-2-9-20/h3,5-6,23H,1-2,4,7-12H2
InChIKeyVBJDQZWCSCFNPK-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.03
Rot. Bonds3

About (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 70744529) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID70744529
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1F)N1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C17H22F2N2O2/c18-14-6-3-5-13(15(14)19)16(22)21-10-4-7-17(23,12-21)11-20-8-1-2-9-20/h3,5-6,23H,1-2,4,7-12H2
InChIKeyVBJDQZWCSCFNPK-UHFFFAOYSA-N
XLogP2.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone 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

[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 154816582
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036846
[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124967904
3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide
CID 132777230
1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70727854
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
1-(4-fluorophenyl)-4-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 70718148
[3-(azetidin-1-ylmethyl)-3-hydroxyazetidin-1-yl]-[3,4-difluoro-2-(2-fluoro-3-iodoanilino)phenyl]methanone
CID 155090261
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70752590
2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70713127
(2,3-difluorophenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 113234293

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 70744529) is (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1cccc(F)c1F)N1CCCC(O)(CN2CCCC2)C1.
What is the InChIKey of (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is VBJDQZWCSCFNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c18-14-6-3-5-13(15(14)19)16(22)21-10-4-7-17(23,12-21)11-20-8-1-2-9-20/h3,5-6,23H,1-2,4,7-12H2.
What are the key properties of (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 324.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70744529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).