1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine

C19H32N2 — CID 64843731

IUPAC1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
SMILESCCC1CN(Cc2ccc(C)c(C)c2)C(CC)(CC)CN1
InChIInChI=1S/C19H32N2/c1-6-18-13-21(19(7-2,8-3)14-20-18)12-17-10-9-15(4)16(5)11-17/h9-11,18,20H,6-8,12-14H2,1-5H3
InChIKeyRPSYGZMQORQITJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.05
Rot. Bonds5

About 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine

1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine (PubChem CID 64843731) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
PubChem CID64843731
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
SMILESCCC1CN(Cc2ccc(C)c(C)c2)C(CC)(CC)CN1
InChIInChI=1S/C19H32N2/c1-6-18-13-21(19(7-2,8-3)14-20-18)12-17-10-9-15(4)16(5)11-17/h9-11,18,20H,6-8,12-14H2,1-5H3
InChIKeyRPSYGZMQORQITJ-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5-triethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375712
1-[(4-chloro-3-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 107888547
1-[(3-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 64841983
2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
CID 64842179
2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
CID 114349580
1-[(5-chloro-2-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 103050786
1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
CID 64840562
1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 64842373
1-[(3,4-difluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 82925269
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843336
1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine
CID 104812451

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine (CID 64843731) is 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine is CCC1CN(Cc2ccc(C)c(C)c2)C(CC)(CC)CN1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine?
The InChIKey is RPSYGZMQORQITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-18-13-21(19(7-2,8-3)14-20-18)12-17-10-9-15(4)16(5)11-17/h9-11,18,20H,6-8,12-14H2,1-5H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine?
1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine is sourced from PubChem (CID 64843731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).