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

C18H30N2 — CID 64861187

IUPAC1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(C)c(C)c2)C(C)CN1
InChIInChI=1S/C18H30N2/c1-6-18(7-2)13-20(16(5)11-19-18)12-17-9-8-14(3)15(4)10-17/h8-10,16,19H,6-7,11-13H2,1-5H3
InChIKeyKLQYEEDRUBHKEM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.66
Rot. Bonds4

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

1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine (PubChem CID 64861187) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine
PubChem CID64861187
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(C)c(C)c2)C(C)CN1
InChIInChI=1S/C18H30N2/c1-6-18(7-2)13-20(16(5)11-19-18)12-17-9-8-14(3)15(4)10-17/h8-10,16,19H,6-7,11-13H2,1-5H3
InChIKeyKLQYEEDRUBHKEM-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64860604
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64860612
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914
1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64859837
3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81173577
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
CID 65491363
5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine
CID 64847317
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64860226
1-[(2,5-dimethylphenyl)methyl]-3,3-diethyl-7-methyl-1,4-diazepane
CID 64871447
5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
CID 64861186
5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine
CID 64941170

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine (CID 64861187) is 1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine is CCC1(CC)CN(Cc2ccc(C)c(C)c2)C(C)CN1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine?
The InChIKey is KLQYEEDRUBHKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-18(7-2)13-20(16(5)11-19-18)12-17-9-8-14(3)15(4)10-17/h8-10,16,19H,6-7,11-13H2,1-5H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine?
1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.66, 4 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]-5,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64861187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).