5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine

C18H30N2 — CID 64848030

IUPAC5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
SMILESCCC(C)C1CN(Cc2ccc(C)cc2)C(CC)CN1
InChIInChI=1S/C18H30N2/c1-5-15(4)18-13-20(17(6-2)11-19-18)12-16-9-7-14(3)8-10-16/h7-10,15,17-19H,5-6,11-13H2,1-4H3
InChIKeyZLQCPWYWZNWWAG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.59
Rot. Bonds5

About 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine

5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine (PubChem CID 64848030) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
PubChem CID64848030
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
SMILESCCC(C)C1CN(Cc2ccc(C)cc2)C(CC)CN1
InChIInChI=1S/C18H30N2/c1-5-15(4)18-13-20(17(6-2)11-19-18)12-16-9-7-14(3)8-10-16/h7-10,15,17-19H,5-6,11-13H2,1-4H3
InChIKeyZLQCPWYWZNWWAG-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
5-butan-2-yl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65490972
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
CID 64850155
5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine
CID 64936261
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine
CID 102620685
2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 64938382
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
CID 64937935
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine (CID 64848030) is 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine is CCC(C)C1CN(Cc2ccc(C)cc2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine?
The InChIKey is ZLQCPWYWZNWWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-15(4)18-13-20(17(6-2)11-19-18)12-16-9-7-14(3)8-10-16/h7-10,15,17-19H,5-6,11-13H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine?
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64848030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).