1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine

C15H25N3 — CID 115230056

IUPAC1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
SMILESCc1ccc(CN(C)CN2CCNCC2)cc1C
InChIInChI=1S/C15H25N3/c1-13-4-5-15(10-14(13)2)11-17(3)12-18-8-6-16-7-9-18/h4-5,10,16H,6-9,11-12H2,1-3H3
InChIKeyWXUCGNDBJCGVQM-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.60
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine

1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine (PubChem CID 115230056) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
PubChem CID115230056
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
SMILESCc1ccc(CN(C)CN2CCNCC2)cc1C
InChIInChI=1S/C15H25N3/c1-13-4-5-15(10-14(13)2)11-17(3)12-18-8-6-16-7-9-18/h4-5,10,16H,6-9,11-12H2,1-3H3
InChIKeyWXUCGNDBJCGVQM-UHFFFAOYSA-N
XLogP1.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
CID 115230062
N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230053
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine
CID 82118543
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238706
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine (CID 115230056) is 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine is Cc1ccc(CN(C)CN2CCNCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine?
The InChIKey is WXUCGNDBJCGVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-4-5-15(10-14(13)2)11-17(3)12-18-8-6-16-7-9-18/h4-5,10,16H,6-9,11-12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine?
1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine has a molecular weight of 247.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine is sourced from PubChem (CID 115230056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).