1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine

C17H28N2 — CID 82302000

IUPAC1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine
SMILESCc1ccc(C)c(CC(C)(C)CN2CCNCC2)c1
InChIInChI=1S/C17H28N2/c1-14-5-6-15(2)16(11-14)12-17(3,4)13-19-9-7-18-8-10-19/h5-6,11,18H,7-10,12-13H2,1-4H3
InChIKeyQPXXPOOYJSPBNL-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.78
Rot. Bonds4

About 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine

1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine (PubChem CID 82302000) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine.

Molecular Properties

Compound Name1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine
PubChem CID82302000
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine
SMILESCc1ccc(C)c(CC(C)(C)CN2CCNCC2)c1
InChIInChI=1S/C17H28N2/c1-14-5-6-15(2)16(11-14)12-17(3,4)13-19-9-7-18-8-10-19/h5-6,11,18H,7-10,12-13H2,1-4H3
InChIKeyQPXXPOOYJSPBNL-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-piperazin-1-ylpropan-2-ol
CID 82296659
1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 116840439
1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 82305165
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[1-(2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82289927
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
1-(2,2-dimethylpentyl)piperazine
CID 83530331
3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64834227
1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine
CID 82090991
1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine
CID 82264703
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-[(2,4-dimethylphenyl)sulfonylmethyl]piperazine
CID 117036957

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine?
The IUPAC name of 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine (CID 82302000) is 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine.
What is the SMILES notation for 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine?
The canonical SMILES for 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine is Cc1ccc(C)c(CC(C)(C)CN2CCNCC2)c1.
What is the InChIKey of 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine?
The InChIKey is QPXXPOOYJSPBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-5-6-15(2)16(11-14)12-17(3,4)13-19-9-7-18-8-10-19/h5-6,11,18H,7-10,12-13H2,1-4H3.
What are the key properties of 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine?
1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylphenyl)-2,2-dimethylpropyl]piperazine is sourced from PubChem (CID 82302000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).