[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone

C19H21FN2O2 — CID 110900298

IUPAC[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1NCc1ccccc1F)N1CCCC(O)C1
InChIInChI=1S/C19H21FN2O2/c20-17-9-3-1-6-14(17)12-21-18-10-4-2-8-16(18)19(24)22-11-5-7-15(23)13-22/h1-4,6,8-10,15,21,23H,5,7,11-13H2
InChIKeyWTJHEPQYRLNTMS-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.03
Rot. Bonds4

About [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone

[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 110900298) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID110900298
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1NCc1ccccc1F)N1CCCC(O)C1
InChIInChI=1S/C19H21FN2O2/c20-17-9-3-1-6-14(17)12-21-18-10-4-2-8-16(18)19(24)22-11-5-7-15(23)13-22/h1-4,6,8-10,15,21,23H,5,7,11-13H2
InChIKeyWTJHEPQYRLNTMS-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696
(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
CID 154736364
(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
CID 111753525
[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 71855541
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62661412
[(3R)-3-hydroxypiperidin-1-yl]-[2-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
CID 99828541
[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111777953
4-[[2-(3-hydroxypiperidine-1-carbonyl)anilino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 60536693
2-[[2-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 164632184

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone (CID 110900298) is [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone is O=C(c1ccccc1NCc1ccccc1F)N1CCCC(O)C1.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is WTJHEPQYRLNTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-9-3-1-6-14(17)12-21-18-10-4-2-8-16(18)19(24)22-11-5-7-15(23)13-22/h1-4,6,8-10,15,21,23H,5,7,11-13H2.
What are the key properties of [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 328.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 110900298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).