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

C19H20ClFN2O2 — CID 40697011

IUPAC(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20ClFN2O2/c1-14(25-16-8-6-15(20)7-9-16)19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3/t14-/m1/s1
InChIKeyMBKRKDHFCDRBIA-CQSZACIVSA-N
MW362.83 g/mol
LogP3.60
Rot. Bonds4

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

(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 40697011) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID40697011
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20ClFN2O2/c1-14(25-16-8-6-15(20)7-9-16)19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3/t14-/m1/s1
InChIKeyMBKRKDHFCDRBIA-CQSZACIVSA-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

Analyze (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
CID 93072543
2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17217725
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 43001973
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 3321756
tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate
CID 42930469
1-[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-chlorophenoxy)propan-1-one
CID 108546756
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (CID 40697011) is (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is MBKRKDHFCDRBIA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-14(25-16-8-6-15(20)7-9-16)19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
(2R)-2-(4-chlorophenoxy)-1-[4-(2-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 (2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 40697011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).