1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine

C18H30N2 — CID 64842124

IUPAC1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(Cc2ccc(C)c(C)c2)C(C(C)C)CN1
InChIInChI=1S/C18H30N2/c1-6-17-12-20(18(10-19-17)13(2)3)11-16-8-7-14(4)15(5)9-16/h7-9,13,17-19H,6,10-12H2,1-5H3
InChIKeyZJBGSLZSUNNRQN-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.51
Rot. Bonds4

About 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine

1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 64842124) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
PubChem CID64842124
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(Cc2ccc(C)c(C)c2)C(C(C)C)CN1
InChIInChI=1S/C18H30N2/c1-6-17-12-20(18(10-19-17)13(2)3)11-16-8-7-14(4)15(5)9-16/h7-9,13,17-19H,6,10-12H2,1-5H3
InChIKeyZJBGSLZSUNNRQN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844500
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 102620651
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 114934592
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
CID 64842906
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine
CID 64842129
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
5-ethyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64843483
1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride
CID 146675492
2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
CID 64841549
5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64946669

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine (CID 64842124) is 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(Cc2ccc(C)c(C)c2)C(C(C)C)CN1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is ZJBGSLZSUNNRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-17-12-20(18(10-19-17)13(2)3)11-16-8-7-14(4)15(5)9-16/h7-9,13,17-19H,6,10-12H2,1-5H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.51, 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-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64842124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).