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

C19H21FN2O2 — CID 95785638

IUPAC[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
SMILESC[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C19H21FN2O2/c1-14(15-4-2-6-17(20)12-15)21-8-10-22(11-9-21)19(24)16-5-3-7-18(23)13-16/h2-7,12-14,23H,8-11H2,1H3/t14-/m0/s1
InChIKeyRTEUMMZPCWETKW-AWEZNQCLSA-N
MW328.39 g/mol
LogP3.05
Rot. Bonds3

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

[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 95785638) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID95785638
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
SMILESC[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C19H21FN2O2/c1-14(15-4-2-6-17(20)12-15)21-8-10-22(11-9-21)19(24)16-5-3-7-18(23)13-16/h2-7,12-14,23H,8-11H2,1H3/t14-/m0/s1
InChIKeyRTEUMMZPCWETKW-AWEZNQCLSA-N
XLogP3.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787
3-[4-[(1S)-1-phenylethyl]piperazine-1-carbonyl]benzoic acid
CID 2050859
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124535818
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
CID 129401472
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65053931
(3-aminophenyl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119877606
4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide
CID 95156330
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534702
3-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119710239

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone (CID 95785638) is [4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone is C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of [4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is RTEUMMZPCWETKW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(15-4-2-6-17(20)12-15)21-8-10-22(11-9-21)19(24)16-5-3-7-18(23)13-16/h2-7,12-14,23H,8-11H2,1H3/t14-/m0/s1.
What are the key properties of [4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone?
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 328.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 95785638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).