2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one

C15H21FN2O2 — CID 67501926

IUPAC2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(N)C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-10-6-8-18(9-7-10)15(20)13(17)14(19)11-2-4-12(16)5-3-11/h2-5,10,13-14,19H,6-9,17H2,1H3
InChIKeyKBSRSASTHWHVIJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.44
Rot. Bonds3

About 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one

2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 67501926) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID67501926
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(N)C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-10-6-8-18(9-7-10)15(20)13(17)14(19)11-2-4-12(16)5-3-11/h2-5,10,13-14,19H,6-9,17H2,1H3
InChIKeyKBSRSASTHWHVIJ-UHFFFAOYSA-N
XLogP1.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-(4-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one
CID 11777801
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 23572000
(4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7437194
2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
CID 163525118
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
3-amino-2-[4-(4-fluorophenyl)phenyl]-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutanoic acid
CID 67555992
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one (CID 67501926) is 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)C(N)C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is KBSRSASTHWHVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-6-8-18(9-7-10)15(20)13(17)14(19)11-2-4-12(16)5-3-11/h2-5,10,13-14,19H,6-9,17H2,1H3.
What are the key properties of 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one?
2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 67501926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).