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

C20H23ClN2O2 — CID 120802542

IUPAC1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-14-16-6-3-2-4-7-16)20(24)23-11-10-22-13-19(23)17-8-5-9-18(21)12-17/h2-9,12,15,19,22H,10-11,13-14H2,1H3
InChIKeyBQGDMWTWXMPPQL-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.42
Rot. Bonds5

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

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one (PubChem CID 120802542) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
PubChem CID120802542
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-14-16-6-3-2-4-7-16)20(24)23-11-10-22-13-19(23)17-8-5-9-18(21)12-17/h2-9,12,15,19,22H,10-11,13-14H2,1H3
InChIKeyBQGDMWTWXMPPQL-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 120802410
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 120802086
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 120802085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 120737414
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 120801926
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120803381
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 120803115
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one?
The IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one (CID 120802542) is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one is CC(OCc1ccccc1)C(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one?
The InChIKey is BQGDMWTWXMPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(25-14-16-6-3-2-4-7-16)20(24)23-11-10-22-13-19(23)17-8-5-9-18(21)12-17/h2-9,12,15,19,22H,10-11,13-14H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one?
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one has a molecular weight of 358.87 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one is sourced from PubChem (CID 120802542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).