2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine

C19H32N2 — CID 64842129

IUPAC2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine
SMILESCCC1CN(Cc2cc(C)ccc2C)C(C(C)CC)CN1
InChIInChI=1S/C19H32N2/c1-6-15(4)19-11-20-18(7-2)13-21(19)12-17-10-14(3)8-9-16(17)5/h8-10,15,18-20H,6-7,11-13H2,1-5H3
InChIKeyHKTSQLYOAYFNBH-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.90
Rot. Bonds5

About 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine

2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine (PubChem CID 64842129) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine
PubChem CID64842129
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine
SMILESCCC1CN(Cc2cc(C)ccc2C)C(C(C)CC)CN1
InChIInChI=1S/C19H32N2/c1-6-15(4)19-11-20-18(7-2)13-21(19)12-17-10-14(3)8-9-16(17)5/h8-10,15,18-20H,6-7,11-13H2,1-5H3
InChIKeyHKTSQLYOAYFNBH-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64844455
2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
CID 64843293
1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
CID 64841935
2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
CID 64842906
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
CID 64841549
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 102620651
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
2-butan-2-yl-5-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64841937

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine (CID 64842129) is 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine is CCC1CN(Cc2cc(C)ccc2C)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine?
The InChIKey is HKTSQLYOAYFNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-15(4)19-11-20-18(7-2)13-21(19)12-17-10-14(3)8-9-16(17)5/h8-10,15,18-20H,6-7,11-13H2,1-5H3.
What are the key properties of 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine?
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine is sourced from PubChem (CID 64842129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).