1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride

C18H28Cl2N2O2 — CID 171288374

IUPAC1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1cc2c(cc1[C@@H](C1CCOCC1)N1CCNCC1)CCO2
InChIInChI=1S/C18H26N2O2.2ClH/c1-2-17-15(5-12-22-17)13-16(1)18(14-3-10-21-11-4-14)20-8-6-19-7-9-20;;/h1-2,13-14,18-19H,3-12H2;2*1H/t18-;;/m1../s1
InChIKeyYTCLINDDXBXMAI-JPKZNVRTSA-N
MW375.34 g/mol
LogP2.84
Rot. Bonds3

About 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride

1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride (PubChem CID 171288374) has the molecular formula C18H28Cl2N2O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
PubChem CID171288374
Molecular FormulaC18H28Cl2N2O2
Molecular Weight375.34 g/mol
Exact Mass374.15
IUPAC Name1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1cc2c(cc1[C@@H](C1CCOCC1)N1CCNCC1)CCO2
InChIInChI=1S/C18H26N2O2.2ClH/c1-2-17-15(5-12-22-17)13-16(1)18(14-3-10-21-11-4-14)20-8-6-19-7-9-20;;/h1-2,13-14,18-19H,3-12H2;2*1H/t18-;;/m1../s1
InChIKeyYTCLINDDXBXMAI-JPKZNVRTSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride
CID 171275740
1-[(R)-1,3-benzodioxol-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171297107
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-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 95489813
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
3-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272818
1-[(R)-(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171289486
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
CID 171275729
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
CID 171181795
1-[(R)-(3,5-dimethylphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288161
4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
CID 104545402

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride (CID 171288374) is 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride is Cl.Cl.c1cc2c(cc1[C@@H](C1CCOCC1)N1CCNCC1)CCO2.
What is the InChIKey of 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride?
The InChIKey is YTCLINDDXBXMAI-JPKZNVRTSA-N. The full InChI is InChI=1S/C18H26N2O2.2ClH/c1-2-17-15(5-12-22-17)13-16(1)18(14-3-10-21-11-4-14)20-8-6-19-7-9-20;;/h1-2,13-14,18-19H,3-12H2;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride?
1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride has a molecular weight of 375.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171288374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).