[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone

C15H21FN2O2 — CID 62661412

IUPAC[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCCCNc1c(F)cccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H21FN2O2/c1-2-8-17-14-12(6-3-7-13(14)16)15(20)18-9-4-5-11(19)10-18/h3,6-7,11,17,19H,2,4-5,8-10H2,1H3
InChIKeyURLVJXPATKPCRS-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.24
Rot. Bonds4

About [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone

[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 62661412) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID62661412
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCCCNc1c(F)cccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H21FN2O2/c1-2-8-17-14-12(6-3-7-13(14)16)15(20)18-9-4-5-11(19)10-18/h3,6-7,11,17,19H,2,4-5,8-10H2,1H3
InChIKeyURLVJXPATKPCRS-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 106673755
[3-fluoro-2-(propylamino)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62650348
[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62649666
(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 62659970
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057
[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110900298
(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 63219093
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-3-fluorophenyl]methanone
CID 63174935
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone (CID 62661412) is [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone is CCCNc1c(F)cccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is URLVJXPATKPCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-8-17-14-12(6-3-7-13(14)16)15(20)18-9-4-5-11(19)10-18/h3,6-7,11,17,19H,2,4-5,8-10H2,1H3.
What are the key properties of [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 280.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 62661412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).