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

C19H21FN2O2 — CID 95175600

IUPAC[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cccc(NCc2cccc(F)c2)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C19H21FN2O2/c20-16-6-1-4-14(10-16)12-21-17-7-2-5-15(11-17)19(24)22-9-3-8-18(23)13-22/h1-2,4-7,10-11,18,21,23H,3,8-9,12-13H2/t18-/m0/s1
InChIKeyDRAJIJUXTQCGJP-SFHVURJKSA-N
MW328.39 g/mol
LogP3.03
Rot. Bonds4

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

[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 95175600) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID95175600
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cccc(NCc2cccc(F)c2)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C19H21FN2O2/c20-16-6-1-4-14(10-16)12-21-17-7-2-5-15(11-17)19(24)22-9-3-8-18(23)13-22/h1-2,4-7,10-11,18,21,23H,3,8-9,12-13H2/t18-/m0/s1
InChIKeyDRAJIJUXTQCGJP-SFHVURJKSA-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

[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111777953
(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-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
(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
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide
CID 52513679
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 95175600) is [3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(c1cccc(NCc2cccc(F)c2)c1)N1CCC[C@H](O)C1.
What is the InChIKey of [3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is DRAJIJUXTQCGJP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-6-1-4-14(10-16)12-21-17-7-2-5-15(11-17)19(24)22-9-3-8-18(23)13-22/h1-2,4-7,10-11,18,21,23H,3,8-9,12-13H2/t18-/m0/s1.
What are the key properties of [3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-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 [3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 95175600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).