1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine

C21H26N2O2 — CID 170864258

IUPAC1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(-c3ccc4c(c3)OCO4)cc2)CC1
InChIInChI=1S/C21H26N2O2/c1-22-11-13-23(14-12-22)10-2-3-17-4-6-18(7-5-17)19-8-9-20-21(15-19)25-16-24-20/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyVXUMYAFYNXJJKW-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.26
Rot. Bonds5

About 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine

1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine (PubChem CID 170864258) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine
PubChem CID170864258
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(-c3ccc4c(c3)OCO4)cc2)CC1
InChIInChI=1S/C21H26N2O2/c1-22-11-13-23(14-12-22)10-2-3-17-4-6-18(7-5-17)19-8-9-20-21(15-19)25-16-24-20/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyVXUMYAFYNXJJKW-UHFFFAOYSA-N
XLogP3.26
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
CID 170870679
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine
CID 170863336
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine
CID 69440754
4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline
CID 170864082
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
1-[4-(1,3-benzodioxol-5-yl)butyl]-4-(4-chlorophenyl)piperazine
CID 69443078
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide
CID 170862731
1-methyl-4-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-1,4-diazepane
CID 170863358
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 67457316

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine (CID 170864258) is 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine is CN1CCN(CCCc2ccc(-c3ccc4c(c3)OCO4)cc2)CC1.
What is the InChIKey of 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine?
The InChIKey is VXUMYAFYNXJJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22-11-13-23(14-12-22)10-2-3-17-4-6-18(7-5-17)19-8-9-20-21(15-19)25-16-24-20/h4-9,15H,2-3,10-14,16H2,1H3.
What are the key properties of 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine?
1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine has a molecular weight of 338.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170864258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).