[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine

C13H21N3 — CID 62308620

IUPAC[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCc1ccc(CN)c(N2CCN(C)CC2)c1
InChIInChI=1S/C13H21N3/c1-11-3-4-12(10-14)13(9-11)16-7-5-15(2)6-8-16/h3-4,9H,5-8,10,14H2,1-2H3
InChIKeyITZGWVKQPZTOIT-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.21
Rot. Bonds2

About [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine

[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine (PubChem CID 62308620) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine
PubChem CID62308620
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCc1ccc(CN)c(N2CCN(C)CC2)c1
InChIInChI=1S/C13H21N3/c1-11-3-4-12(10-14)13(9-11)16-7-5-15(2)6-8-16/h3-4,9H,5-8,10,14H2,1-2H3
InChIKeyITZGWVKQPZTOIT-UHFFFAOYSA-N
XLogP1.21
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine (CID 62308620) is [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine is Cc1ccc(CN)c(N2CCN(C)CC2)c1.
What is the InChIKey of [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is ITZGWVKQPZTOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-3-4-12(10-14)13(9-11)16-7-5-15(2)6-8-16/h3-4,9H,5-8,10,14H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine?
[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 62308620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).