[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine

C14H23N3 — CID 80505367

IUPAC[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine
SMILESCc1ccc(CN2CCN(C)CC2CN)cc1
InChIInChI=1S/C14H23N3/c1-12-3-5-13(6-4-12)10-17-8-7-16(2)11-14(17)9-15/h3-6,14H,7-11,15H2,1-2H3
InChIKeyGXNYRXQUTZZMKR-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.07
Rot. Bonds3

About [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine

[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine (PubChem CID 80505367) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine
PubChem CID80505367
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine
SMILESCc1ccc(CN2CCN(C)CC2CN)cc1
InChIInChI=1S/C14H23N3/c1-12-3-5-13(6-4-12)10-17-8-7-16(2)11-14(17)9-15/h3-6,14H,7-11,15H2,1-2H3
InChIKeyGXNYRXQUTZZMKR-UHFFFAOYSA-N
XLogP1.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine (CID 80505367) is [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine is Cc1ccc(CN2CCN(C)CC2CN)cc1.
What is the InChIKey of [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine?
The InChIKey is GXNYRXQUTZZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-3-5-13(6-4-12)10-17-8-7-16(2)11-14(17)9-15/h3-6,14H,7-11,15H2,1-2H3.
What are the key properties of [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine?
[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine is sourced from PubChem (CID 80505367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).