[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride

C22H24Cl2N2O2 — CID 120738402

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
SMILESCl.O=C(C1CC12CCOc1ccccc12)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C22H23ClN2O2.ClH/c23-18-7-3-1-5-15(18)19-14-24-10-11-25(19)21(26)17-13-22(17)9-12-27-20-8-4-2-6-16(20)22;/h1-8,17,19,24H,9-14H2;1H
InChIKeyARXYRGKSNQJFEJ-UHFFFAOYSA-N
MW419.35 g/mol
LogP3.98
Rot. Bonds2

About [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride

[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride (PubChem CID 120738402) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
PubChem CID120738402
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
SMILESCl.O=C(C1CC12CCOc1ccccc12)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C22H23ClN2O2.ClH/c23-18-7-3-1-5-15(18)19-14-24-10-11-25(19)21(26)17-13-22(17)9-12-27-20-8-4-2-6-16(20)22;/h1-8,17,19,24H,9-14H2;1H
InChIKeyARXYRGKSNQJFEJ-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride with MolForge

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone
CID 120802046
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120738147
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
[2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 120739682
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
1,3-benzodioxol-5-yl-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120739017
[2-(3-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120802484
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride (CID 120738402) is [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride is Cl.O=C(C1CC12CCOc1ccccc12)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The InChIKey is ARXYRGKSNQJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2.ClH/c23-18-7-3-1-5-15(18)19-14-24-10-11-25(19)21(26)17-13-22(17)9-12-27-20-8-4-2-6-16(20)22;/h1-8,17,19,24H,9-14H2;1H.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride has a molecular weight of 419.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride is sourced from PubChem (CID 120738402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).