1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone

C21H23ClN2O2 — CID 120802068

IUPAC1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c22-17-5-3-4-16(12-17)19-14-23-9-10-24(19)21(25)13-15-8-11-26-20-7-2-1-6-18(15)20/h1-7,12,15,19,23H,8-11,13-14H2
InChIKeyVFBQCJTWRCAIQP-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.77
Rot. Bonds3

About 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone (PubChem CID 120802068) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
PubChem CID120802068
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c22-17-5-3-4-16(12-17)19-14-23-9-10-24(19)21(25)13-15-8-11-26-20-7-2-1-6-18(15)20/h1-7,12,15,19,23H,8-11,13-14H2
InChIKeyVFBQCJTWRCAIQP-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 120802318
4-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 120802372
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone
CID 120802046
2-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 120802401
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120802446
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 120801978
[2-(3-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 120803568

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone (CID 120802068) is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone.
What is the SMILES notation for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The canonical SMILES for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone is O=C(CC1CCOc2ccccc21)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The InChIKey is VFBQCJTWRCAIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-17-5-3-4-16(12-17)19-14-23-9-10-24(19)21(25)13-15-8-11-26-20-7-2-1-6-18(15)20/h1-7,12,15,19,23H,8-11,13-14H2.
What are the key properties of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone?
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone has a molecular weight of 370.88 g/mol, XLogP of 3.77, 3 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-(3,4-dihydro-2H-chromen-4-yl)ethanone is sourced from PubChem (CID 120802068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).