1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine

C16H27N3 — CID 115238690

IUPAC1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CN(C)CCN2)c(C)c1C
InChIInChI=1S/C16H27N3/c1-12-5-6-15(14(3)13(12)2)9-17-10-16-11-19(4)8-7-18-16/h5-6,16-18H,7-11H2,1-4H3
InChIKeySZJBNRAMRGROLK-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.61
Rot. Bonds4

About 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine

1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine (PubChem CID 115238690) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
PubChem CID115238690
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CN(C)CCN2)c(C)c1C
InChIInChI=1S/C16H27N3/c1-12-5-6-15(14(3)13(12)2)9-17-10-16-11-19(4)8-7-18-16/h5-6,16-18H,7-11H2,1-4H3
InChIKeySZJBNRAMRGROLK-UHFFFAOYSA-N
XLogP1.61
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239412
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238653
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
CID 116941716
2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238770

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine (CID 115238690) is 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine is Cc1ccc(CNCC2CN(C)CCN2)c(C)c1C.
What is the InChIKey of 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine?
The InChIKey is SZJBNRAMRGROLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-5-6-15(14(3)13(12)2)9-17-10-16-11-19(4)8-7-18-16/h5-6,16-18H,7-11H2,1-4H3.
What are the key properties of 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine?
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 115238690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).