1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine

C17H28N2 — CID 64952698

IUPAC1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccccc1N1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C17H28N2/c1-12(2)15-11-19(17(10-18-15)13(3)4)16-9-7-6-8-14(16)5/h6-9,12-13,15,17-18H,10-11H2,1-5H3
InChIKeyFRPVHNXPDWWFLT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.45
Rot. Bonds3

About 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine

1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine (PubChem CID 64952698) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine
PubChem CID64952698
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccccc1N1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C17H28N2/c1-12(2)15-11-19(17(10-18-15)13(3)4)16-9-7-6-8-14(16)5/h6-9,12-13,15,17-18H,10-11H2,1-5H3
InChIKeyFRPVHNXPDWWFLT-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954676
2,5-di(propan-2-yl)-1-(2-propylphenyl)piperazine
CID 64938901
1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952707
1-(4-bromo-2,3-dichlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 107794416
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 107594300
2,5-di(propan-2-yl)-1-pyridin-3-ylpiperazine
CID 64952663
1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954088
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937906
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine (CID 64952698) is 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine is Cc1ccccc1N1CC(C(C)C)NCC1C(C)C.
What is the InChIKey of 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is FRPVHNXPDWWFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)15-11-19(17(10-18-15)13(3)4)16-9-7-6-8-14(16)5/h6-9,12-13,15,17-18H,10-11H2,1-5H3.
What are the key properties of 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine?
1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64952698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).