5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine

C19H32N2 — CID 64842595

IUPAC5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H32N2/c1-7-17-11-20-18(19(4,5)6)13-21(17)12-16-9-8-14(2)15(3)10-16/h8-10,17-18,20H,7,11-13H2,1-6H3
InChIKeyBVPJQXOYUWDHGT-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.90
Rot. Bonds3

About 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine

5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine (PubChem CID 64842595) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine
PubChem CID64842595
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H32N2/c1-7-17-11-20-18(19(4,5)6)13-21(17)12-16-9-8-14(2)15(3)10-16/h8-10,17-18,20H,7,11-13H2,1-6H3
InChIKeyBVPJQXOYUWDHGT-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-ethylpiperazine
CID 64841431
5-tert-butyl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65489981
5-tert-butyl-2-ethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957732
5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842793
5-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]-2-ethylpiperazine
CID 114860447
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64842881
5-tert-butyl-1-[(2-methylphenyl)methyl]-2-propylpiperazine
CID 64841050
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
5-tert-butyl-1-(2,6-difluoro-3-methylphenyl)-2-ethylpiperazine
CID 82802883
5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine
CID 64843375
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine?
The IUPAC name of 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine (CID 64842595) is 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine is CCC1CNC(C(C)(C)C)CN1Cc1ccc(C)c(C)c1.
What is the InChIKey of 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine?
The InChIKey is BVPJQXOYUWDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-7-17-11-20-18(19(4,5)6)13-21(17)12-16-9-8-14(2)15(3)10-16/h8-10,17-18,20H,7,11-13H2,1-6H3.
What are the key properties of 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine?
5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine is sourced from PubChem (CID 64842595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).