1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine

C17H26N2O3 — CID 170863940

IUPAC1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine
SMILESCOc1cc2c(cc1CCCN1CCN(C)CC1)OCCO2
InChIInChI=1S/C17H26N2O3/c1-18-6-8-19(9-7-18)5-3-4-14-12-16-17(13-15(14)20-2)22-11-10-21-16/h12-13H,3-11H2,1-2H3
InChIKeyIAQNHEGEOWEBAP-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.65
Rot. Bonds5

About 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine

1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine (PubChem CID 170863940) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine
PubChem CID170863940
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine
SMILESCOc1cc2c(cc1CCCN1CCN(C)CC1)OCCO2
InChIInChI=1S/C17H26N2O3/c1-18-6-8-19(9-7-18)5-3-4-14-12-16-17(13-15(14)20-2)22-11-10-21-16/h12-13H,3-11H2,1-2H3
InChIKeyIAQNHEGEOWEBAP-UHFFFAOYSA-N
XLogP1.65
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862894
N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863148
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
CID 170869897
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549
4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
CID 170869682
3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine
CID 170865622

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine (CID 170863940) is 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine is COc1cc2c(cc1CCCN1CCN(C)CC1)OCCO2.
What is the InChIKey of 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine?
The InChIKey is IAQNHEGEOWEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-18-6-8-19(9-7-18)5-3-4-14-12-16-17(13-15(14)20-2)22-11-10-21-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine?
1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine has a molecular weight of 306.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170863940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).