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

C15H24Cl2N2O — CID 171275729

IUPAC1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc2c(c1)CCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22N2O.2ClH/c1-2-14(17-8-6-16-7-9-17)12-3-4-15-13(11-12)5-10-18-15;;/h3-4,11,14,16H,2,5-10H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyBGOYRWXPDQPMQB-UTLKBRERSA-N
MW319.28 g/mol
LogP2.82
Rot. Bonds3

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

1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride (PubChem CID 171275729) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
PubChem CID171275729
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc2c(c1)CCO2)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22N2O.2ClH/c1-2-14(17-8-6-16-7-9-17)12-3-4-15-13(11-12)5-10-18-15;;/h3-4,11,14,16H,2,5-10H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyBGOYRWXPDQPMQB-UTLKBRERSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
CID 171181795
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutyl]piperazine
CID 171304422
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954841
1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride
CID 171275740
1-[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propyl]piperazine;hydrochloride
CID 171173098
2-(2,3-dihydro-1-benzofuran-5-yl)-2-piperazin-1-ylacetamide
CID 54892195
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288374
4-[(1R)-1-piperazin-1-ylpropyl]benzene-1,2-diol;dihydrochloride
CID 171285097
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride (CID 171275729) is 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride is CC[C@@H](c1ccc2c(c1)CCO2)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride?
The InChIKey is BGOYRWXPDQPMQB-UTLKBRERSA-N. The full InChI is InChI=1S/C15H22N2O.2ClH/c1-2-14(17-8-6-16-7-9-17)12-3-4-15-13(11-12)5-10-18-15;;/h3-4,11,14,16H,2,5-10H2,1H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride has a molecular weight of 319.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).