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

C17H28N2 — CID 64844455

IUPAC2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1cc(C)ccc1C
InChIInChI=1S/C17H28N2/c1-5-14(3)17-11-18-8-9-19(17)12-16-10-13(2)6-7-15(16)4/h6-7,10,14,17-18H,5,8-9,11-12H2,1-4H3
InChIKeyQCPBMENAIPEZBP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.12
Rot. Bonds4

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

2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine (PubChem CID 64844455) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine
PubChem CID64844455
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1cc(C)ccc1C
InChIInChI=1S/C17H28N2/c1-5-14(3)17-11-18-8-9-19(17)12-16-10-13(2)6-7-15(16)4/h6-7,10,14,17-18H,5,8-9,11-12H2,1-4H3
InChIKeyQCPBMENAIPEZBP-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
CID 114349534
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine
CID 64842129
2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64846833
2-butan-2-yl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64844061
2-butan-2-yl-1-[(4-ethylphenyl)methyl]piperazine
CID 64844062
1-[(5-bromo-2-fluorophenyl)methyl]-2-butan-2-ylpiperazine
CID 64845054
2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine
CID 82924877
1-[(4-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64832159
2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64845053
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine
CID 83558611

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine (CID 64844455) is 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine is CCC(C)C1CNCCN1Cc1cc(C)ccc1C.
What is the InChIKey of 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine?
The InChIKey is QCPBMENAIPEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-14(3)17-11-18-8-9-19(17)12-16-10-13(2)6-7-15(16)4/h6-7,10,14,17-18H,5,8-9,11-12H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine?
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.12, 4 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]piperazine is sourced from PubChem (CID 64844455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).