1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine

C23H30N2O2 — CID 118724005

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(CCc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-5-20(6-3-1)7-4-11-24-13-15-25(16-14-24)12-10-21-8-9-22-23(19-21)27-18-17-26-22/h1-3,5-6,8-9,19H,4,7,10-18H2
InChIKeyZSHNTSHVTOYHHK-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.25
Rot. Bonds7

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine (PubChem CID 118724005) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
PubChem CID118724005
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(CCc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-5-20(6-3-1)7-4-11-24-13-15-25(16-14-24)12-10-21-8-9-22-23(19-21)27-18-17-26-22/h1-3,5-6,8-9,19H,4,7,10-18H2
InChIKeyZSHNTSHVTOYHHK-UHFFFAOYSA-N
XLogP3.25
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine
CID 144811231
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45192797
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine
CID 24738725
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 43035969
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine;dihydrochloride
CID 66996145
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine;formaldehyde;4-phenoxybut-1-en-2-amine
CID 143786070
2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]piperazin-1-yl]propanal
CID 91475489
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 67457316
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-amine
CID 43315124
1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 17496921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine (CID 118724005) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine is c1ccc(CCCN2CCN(CCc3ccc4c(c3)OCCO4)CC2)cc1.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine?
The InChIKey is ZSHNTSHVTOYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-5-20(6-3-1)7-4-11-24-13-15-25(16-14-24)12-10-21-8-9-22-23(19-21)27-18-17-26-22/h1-3,5-6,8-9,19H,4,7,10-18H2.
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine has a molecular weight of 366.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 118724005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).