1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride

C18H28Cl2N2O — CID 171275740

IUPAC1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1cc2c(cc1[C@H](C1CCCC1)N1CCNCC1)CCO2
InChIInChI=1S/C18H26N2O.2ClH/c1-2-4-14(3-1)18(20-10-8-19-9-11-20)16-5-6-17-15(13-16)7-12-21-17;;/h5-6,13-14,18-19H,1-4,7-12H2;2*1H/t18-;;/m0../s1
InChIKeyCCSCELSJUMYMDM-NTEVMMBTSA-N
MW359.34 g/mol
LogP3.60
Rot. Bonds3

About 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride

1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride (PubChem CID 171275740) has the molecular formula C18H28Cl2N2O and a molecular weight of 359.34 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride
PubChem CID171275740
Molecular FormulaC18H28Cl2N2O
Molecular Weight359.34 g/mol
Exact Mass358.16
IUPAC Name1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1cc2c(cc1[C@H](C1CCCC1)N1CCNCC1)CCO2
InChIInChI=1S/C18H26N2O.2ClH/c1-2-4-14(3-1)18(20-10-8-19-9-11-20)16-5-6-17-15(13-16)7-12-21-17;;/h5-6,13-14,18-19H,1-4,7-12H2;2*1H/t18-;;/m0../s1
InChIKeyCCSCELSJUMYMDM-NTEVMMBTSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288374
1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 95489813
1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 28799283
1-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 28799286
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
1-[(S)-cyclopentyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine;hydrochloride
CID 171167716
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
CID 171275729
1-[(R)-cyclohexyl(9H-fluoren-2-yl)methyl]piperazine;dihydrochloride
CID 171295175
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
CID 171181795
1-[(R)-1,3-benzodioxol-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171297107
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
CID 104545402

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride (CID 171275740) is 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride is Cl.Cl.c1cc2c(cc1[C@H](C1CCCC1)N1CCNCC1)CCO2.
What is the InChIKey of 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride?
The InChIKey is CCSCELSJUMYMDM-NTEVMMBTSA-N. The full InChI is InChI=1S/C18H26N2O.2ClH/c1-2-4-14(3-1)18(20-10-8-19-9-11-20)16-5-6-17-15(13-16)7-12-21-17;;/h5-6,13-14,18-19H,1-4,7-12H2;2*1H/t18-;;/m0../s1.
What are the key properties of 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride has a molecular weight of 359.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).