1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine

C17H27FN2 — CID 64952707

IUPAC1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccc(N2CC(C(C)C)NCC2C(C)C)c(F)c1
InChIInChI=1S/C17H27FN2/c1-11(2)15-10-20(17(9-19-15)12(3)4)16-7-6-13(5)8-14(16)18/h6-8,11-12,15,17,19H,9-10H2,1-5H3
InChIKeyOKCXKEMIFQSRMC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine

1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine (PubChem CID 64952707) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
PubChem CID64952707
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccc(N2CC(C(C)C)NCC2C(C)C)c(F)c1
InChIInChI=1S/C17H27FN2/c1-11(2)15-10-20(17(9-19-15)12(3)4)16-7-6-13(5)8-14(16)18/h6-8,11-12,15,17,19H,9-10H2,1-5H3
InChIKeyOKCXKEMIFQSRMC-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.59
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
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 107594300
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64954077
1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954088
1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952698
1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64936357
2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
CID 64952890
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-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
2,5-di(propan-2-yl)-1-(2-propylphenyl)piperazine
CID 64938901

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine (CID 64952707) is 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine is Cc1ccc(N2CC(C(C)C)NCC2C(C)C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is OKCXKEMIFQSRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-11(2)15-10-20(17(9-19-15)12(3)4)16-7-6-13(5)8-14(16)18/h6-8,11-12,15,17,19H,9-10H2,1-5H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine?
1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 278.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64952707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).