(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C19H20ClFN2O2 — CID 1290925

IUPAC(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O2/c1-14(25-18-4-2-3-15(20)13-18)19(24)23-11-9-22(10-12-23)17-7-5-16(21)6-8-17/h2-8,13-14H,9-12H2,1H3/t14-/m0/s1
InChIKeyXJHGGFCEKIOXIK-AWEZNQCLSA-N
MW362.83 g/mol
LogP3.60
Rot. Bonds4

About (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 1290925) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID1290925
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O2/c1-14(25-18-4-2-3-15(20)13-18)19(24)23-11-9-22(10-12-23)17-7-5-16(21)6-8-17/h2-8,13-14H,9-12H2,1H3/t14-/m0/s1
InChIKeyXJHGGFCEKIOXIK-AWEZNQCLSA-N
XLogP3.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 3321756
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 46634903
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 27195534
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 43001973
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
(2S)-2-(4-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 27041580
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55364379
(2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one
CID 93071972
2-(4-chloro-3-methylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 17308649
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 1290925) is (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is XJHGGFCEKIOXIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-14(25-18-4-2-3-15(20)13-18)19(24)23-11-9-22(10-12-23)17-7-5-16(21)6-8-17/h2-8,13-14H,9-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 362.83 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 1290925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).