(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one

C20H23FN2O2 — CID 27195534

IUPAC(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O2/c1-15-3-9-19(10-4-15)25-16(2)20(24)23-13-11-22(12-14-23)18-7-5-17(21)6-8-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyJWDACMOXBCQNKR-INIZCTEOSA-N
MW342.41 g/mol
LogP3.25
Rot. Bonds4

About (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one

(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one (PubChem CID 27195534) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
PubChem CID27195534
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O2/c1-15-3-9-19(10-4-15)25-16(2)20(24)23-13-11-22(12-14-23)18-7-5-17(21)6-8-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyJWDACMOXBCQNKR-INIZCTEOSA-N
XLogP3.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 27041580
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 3321756
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93487258
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685
2-(4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 17165814
3-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzo[c]chromen-6-one
CID 41068327
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 167920139
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one?
The IUPAC name of (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one (CID 27195534) is (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one.
What is the SMILES notation for (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one?
The canonical SMILES for (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one is Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one?
The InChIKey is JWDACMOXBCQNKR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-15-3-9-19(10-4-15)25-16(2)20(24)23-13-11-22(12-14-23)18-7-5-17(21)6-8-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one?
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one has a molecular weight of 342.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one is sourced from PubChem (CID 27195534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).