[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone

C19H21FN2O3 — CID 97044997

IUPAC[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C[C@@H](O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O3/c20-16-3-1-2-15(12-16)18(24)13-21-8-10-22(11-9-21)19(25)14-4-6-17(23)7-5-14/h1-7,12,18,23-24H,8-11,13H2/t18-/m1/s1
InChIKeyKOAIAJDOMZBKDV-GOSISDBHSA-N
MW344.39 g/mol
LogP2.02
Rot. Bonds4

About [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone

[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 97044997) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID97044997
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C[C@@H](O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O3/c20-16-3-1-2-15(12-16)18(24)13-21-8-10-22(11-9-21)19(25)14-4-6-17(23)7-5-14/h1-7,12,18,23-24H,8-11,13H2/t18-/m1/s1
InChIKeyKOAIAJDOMZBKDV-GOSISDBHSA-N
XLogP2.02
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 56815066
tert-butyl 4-[2-(3-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771184
(2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95604299
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
[4-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 92556025
(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95601930
[4-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 46956925
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 95785638
1-[4-[2-(3-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 110885594
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
[4-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110897183

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone (CID 97044997) is [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)N1CCN(C[C@@H](O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is KOAIAJDOMZBKDV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-16-3-1-2-15(12-16)18(24)13-21-8-10-22(11-9-21)19(25)14-4-6-17(23)7-5-14/h1-7,12,18,23-24H,8-11,13H2/t18-/m1/s1.
What are the key properties of [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone?
[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 344.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 97044997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).