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

C19H20F2N2O2 — CID 111777953

IUPAC[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(NCc2cccc(F)c2F)c1)N1CCCC(O)C1
InChIInChI=1S/C19H20F2N2O2/c20-17-8-2-5-14(18(17)21)11-22-15-6-1-4-13(10-15)19(25)23-9-3-7-16(24)12-23/h1-2,4-6,8,10,16,22,24H,3,7,9,11-12H2
InChIKeyADXGLHYLXVJJOT-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.17
Rot. Bonds4

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

[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 111777953) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is [3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID111777953
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(NCc2cccc(F)c2F)c1)N1CCCC(O)C1
InChIInChI=1S/C19H20F2N2O2/c20-17-8-2-5-14(18(17)21)11-22-15-6-1-4-13(10-15)19(25)23-9-3-7-16(24)12-23/h1-2,4-6,8,10,16,22,24H,3,7,9,11-12H2
InChIKeyADXGLHYLXVJJOT-UHFFFAOYSA-N
XLogP3.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 95175600
(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
CID 71968026
(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
CID 146104522
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone
CID 86783784
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110900298
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide
CID 52513679
[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 99854647

Frequently Asked Questions

What is the IUPAC name of [3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone (CID 111777953) is [3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone is O=C(c1cccc(NCc2cccc(F)c2F)c1)N1CCCC(O)C1.
What is the InChIKey of [3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is ADXGLHYLXVJJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-17-8-2-5-14(18(17)21)11-22-15-6-1-4-13(10-15)19(25)23-9-3-7-16(24)12-23/h1-2,4-6,8,10,16,22,24H,3,7,9,11-12H2.
What are the key properties of [3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone?
[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 346.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111777953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).