(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C21H25FN2O2 — CID 93487258

IUPAC(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-3-17-6-4-5-7-20(17)26-16(2)21(25)24-14-12-23(13-15-24)19-10-8-18(22)9-11-19/h4-11,16H,3,12-15H2,1-2H3/t16-/m1/s1
InChIKeyDIXRAVGPOAPYAU-MRXNPFEDSA-N
MW356.44 g/mol
LogP3.50
Rot. Bonds5

About (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 93487258) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID93487258
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-3-17-6-4-5-7-20(17)26-16(2)21(25)24-14-12-23(13-15-24)19-10-8-18(22)9-11-19/h4-11,16H,3,12-15H2,1-2H3/t16-/m1/s1
InChIKeyDIXRAVGPOAPYAU-MRXNPFEDSA-N
XLogP3.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-ethylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 92646949
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-ethylphenoxy)propan-1-one
CID 93487021
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17193924
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 133200332
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 27195534
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 46634903
1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
CID 43886059
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 4039169
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17217725

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 93487258) is (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is DIXRAVGPOAPYAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-3-17-6-4-5-7-20(17)26-16(2)21(25)24-14-12-23(13-15-24)19-10-8-18(22)9-11-19/h4-11,16H,3,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 356.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 93487258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).