1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride

C20H25ClN2O3 — CID 53329787

IUPAC1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19;/h2-7,14H,8-13,15H2,1H3;1H
InChIKeyCZXPYCADSFGDOE-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.21
Rot. Bonds5

About 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride

1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 53329787) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID53329787
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19;/h2-7,14H,8-13,15H2,1H3;1H
InChIKeyCZXPYCADSFGDOE-UHFFFAOYSA-N
XLogP3.21
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
4-Ethyl-5-methyl-5,6-dihydro-[1,3]dioxolo[4,5-j]phenanthridine
CID 44422459
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline
CID 3009245
1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-nitrobenzyl)piperazine
CID 1126293
3-Benzo[1,3]dioxol-5-yl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 10961112
3-Benzo[1,3]dioxol-4-yl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 11102188
1-[(4,4-Diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 52949448
1-[(2,2-Diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 57393527
1-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 134149596
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazine
CID 791168
6-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2465409
(2E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 1148765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride (CID 53329787) is 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride is COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1.Cl.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is CZXPYCADSFGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19;/h2-7,14H,8-13,15H2,1H3;1H.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 53329787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).