1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride

C20H25ClN2O2 — CID 45264937

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride
SMILESCl.c1ccc(CCN2CCN(c3cccc4c3OCCO4)CC2)cc1
InChIInChI=1S/C20H24N2O2.ClH/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19;/h1-8H,9-16H2;1H
InChIKeyJUIIBEXEVBDMAV-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride (PubChem CID 45264937) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride
PubChem CID45264937
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride
SMILESCl.c1ccc(CCN2CCN(c3cccc4c3OCCO4)CC2)cc1
InChIInChI=1S/C20H24N2O2.ClH/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19;/h1-8H,9-16H2;1H
InChIKeyJUIIBEXEVBDMAV-UHFFFAOYSA-N
XLogP3.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Eltoprazine
CID 65853
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 132787
Eltoprazine hydrochloride
CID 3025067
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
S 14489
CID 182595
Cyclohexanecarboxylic acid {2-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-]ethyl}-amide
CID 9799670
1-Biphenyl-3-ylmethyl-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine
CID 9932051
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperazine
CID 9998873
1-[3-(7-Bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
CID 10338821
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
CID 10385009
4-(Benzodioxan-5-yl)-1-[2-(ind-1-en-1-yl)-ethyl]-piperazine
CID 10451312
(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 11143175

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride (CID 45264937) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride is Cl.c1ccc(CCN2CCN(c3cccc4c3OCCO4)CC2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride?
The InChIKey is JUIIBEXEVBDMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19;/h1-8H,9-16H2;1H.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-phenylethyl)piperazine;hydrochloride is sourced from PubChem (CID 45264937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).