[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride

C14H20ClFN2O2 — CID 10518506

IUPAC[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H19FN2O2.ClH/c15-11-3-1-10(2-4-11)9-13(16)14(19)17-7-5-12(18)6-8-17;/h1-4,12-13,18H,5-9,16H2;1H/t13-;/m0./s1
InChIKeyICPJFOJVDKPEOL-ZOWNYOTGSA-N
MW302.78 g/mol
LogP-3.03
Rot. Bonds3

About [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride

[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride (PubChem CID 10518506) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride
PubChem CID10518506
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Name[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H19FN2O2.ClH/c15-11-3-1-10(2-4-11)9-13(16)14(19)17-7-5-12(18)6-8-17;/h1-4,12-13,18H,5-9,16H2;1H/t13-;/m0./s1
InChIKeyICPJFOJVDKPEOL-ZOWNYOTGSA-N
XLogP-3.03
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 5-3.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 97207855
(2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one
CID 89160432
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
tert-butyl N-[(2S)-3-(4-fluorophenyl)-1-(3-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 175247381
(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 95969356
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide
CID 122145910
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 61148268
(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
(4-fluorophenyl)methyl-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7437194
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95301170

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride?
The IUPAC name of [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride (CID 10518506) is [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride is [Cl-].[NH3+][C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1.
What is the InChIKey of [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride?
The InChIKey is ICPJFOJVDKPEOL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H19FN2O2.ClH/c15-11-3-1-10(2-4-11)9-13(16)14(19)17-7-5-12(18)6-8-17;/h1-4,12-13,18H,5-9,16H2;1H/t13-;/m0./s1.
What are the key properties of [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride?
[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride has a molecular weight of 302.78 g/mol, XLogP of -3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]azanium chloride is sourced from PubChem (CID 10518506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).