2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine

C19H32N2 — CID 64841669

IUPAC2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine
SMILESCc1cc(C)c(CN2CC(CC(C)C)NCC2C)c(C)c1
InChIInChI=1S/C19H32N2/c1-13(2)7-18-11-21(17(6)10-20-18)12-19-15(4)8-14(3)9-16(19)5/h8-9,13,17-18,20H,7,10-12H2,1-6H3
InChIKeyJPNQLBSWNAMIKB-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.82
Rot. Bonds4

About 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine

2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine (PubChem CID 64841669) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine
PubChem CID64841669
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine
SMILESCc1cc(C)c(CN2CC(CC(C)C)NCC2C)c(C)c1
InChIInChI=1S/C19H32N2/c1-13(2)7-18-11-21(17(6)10-20-18)12-19-15(4)8-14(3)9-16(19)5/h8-9,13,17-18,20H,7,10-12H2,1-6H3
InChIKeyJPNQLBSWNAMIKB-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64843790
2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64939823
1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64940136
1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64932402
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64841869
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
CID 64940204
1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 116790807
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 107854191
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 106261615
1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64849507
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine (CID 64841669) is 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine is Cc1cc(C)c(CN2CC(CC(C)C)NCC2C)c(C)c1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine?
The InChIKey is JPNQLBSWNAMIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-13(2)7-18-11-21(17(6)10-20-18)12-19-15(4)8-14(3)9-16(19)5/h8-9,13,17-18,20H,7,10-12H2,1-6H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine?
2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine has a molecular weight of 288.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine is sourced from PubChem (CID 64841669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).