1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one

C19H21ClN2O2 — CID 25130950

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)21-11-13-22(14-12-21)19(23)10-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyXEQUDEPIBYJURU-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.46
Rot. Bonds5

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one

1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 25130950) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID25130950
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)21-11-13-22(14-12-21)19(23)10-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyXEQUDEPIBYJURU-UHFFFAOYSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-chlorophenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 55345739
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 78782073
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110365468
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 2164014

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one (CID 25130950) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is XEQUDEPIBYJURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)21-11-13-22(14-12-21)19(23)10-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 344.84 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 25130950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).