1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine

C16H27N3 — CID 115238665

IUPAC1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCC2CN(C)CCN2)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-7-13(2)16(14(3)8-12)10-17-9-15-11-19(4)6-5-18-15/h7-8,15,17-18H,5-6,9-11H2,1-4H3
InChIKeyJIPDEVSBWSQRPN-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.61
Rot. Bonds4

About 1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine

1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine (PubChem CID 115238665) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
PubChem CID115238665
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCC2CN(C)CCN2)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-7-13(2)16(14(3)8-12)10-17-9-15-11-19(4)6-5-18-15/h7-8,15,17-18H,5-6,9-11H2,1-4H3
InChIKeyJIPDEVSBWSQRPN-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

1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238653
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63897056
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116920016
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine
CID 116928311
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
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208286

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine (CID 115238665) is 1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine is Cc1cc(C)c(CNCC2CN(C)CCN2)c(C)c1.
What is the InChIKey of 1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The InChIKey is JIPDEVSBWSQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-7-13(2)16(14(3)8-12)10-17-9-15-11-19(4)6-5-18-15/h7-8,15,17-18H,5-6,9-11H2,1-4H3.
What are the key properties of 1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-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-[(2,4,6-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 115238665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).