1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine

C15H24N2O — CID 170862318

IUPAC1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
SMILESCOc1cccc(CCCN2CCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-16-9-11-17(12-10-16)8-4-6-14-5-3-7-15(13-14)18-2/h3,5,7,13H,4,6,8-12H2,1-2H3
InChIKeyUKHBJUQHYJEWFQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.88
Rot. Bonds5

About 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine

1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine (PubChem CID 170862318) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
PubChem CID170862318
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
SMILESCOc1cccc(CCCN2CCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-16-9-11-17(12-10-16)8-4-6-14-5-3-7-15(13-14)18-2/h3,5,7,13H,4,6,8-12H2,1-2H3
InChIKeyUKHBJUQHYJEWFQ-UHFFFAOYSA-N
XLogP1.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 19102671
1-(1-benzofuran-2-ylmethyl)-4-[3-(3-methoxyphenyl)propyl]piperazine
CID 56678761
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate
CID 170863719
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
CID 170863930
methyl 3-[3-(4-methylpiperazin-1-yl)propyl]benzoate
CID 170862443

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine (CID 170862318) is 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine is COc1cccc(CCCN2CCN(C)CC2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine?
The InChIKey is UKHBJUQHYJEWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-9-11-17(12-10-16)8-4-6-14-5-3-7-15(13-14)18-2/h3,5,7,13H,4,6,8-12H2,1-2H3.
What are the key properties of 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine?
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170862318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).