1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine

C17H27FN2 — CID 64954088

IUPAC1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccc(N2CC(C(C)C)NCC2C(C)C)cc1F
InChIInChI=1S/C17H27FN2/c1-11(2)16-10-20(17(9-19-16)12(3)4)14-7-6-13(5)15(18)8-14/h6-8,11-12,16-17,19H,9-10H2,1-5H3
InChIKeyZHRODINNALUEBF-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine

1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine (PubChem CID 64954088) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
PubChem CID64954088
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccc(N2CC(C(C)C)NCC2C(C)C)cc1F
InChIInChI=1S/C17H27FN2/c1-11(2)16-10-20(17(9-19-16)12(3)4)14-7-6-13(5)15(18)8-14/h6-8,11-12,16-17,19H,9-10H2,1-5H3
InChIKeyZHRODINNALUEBF-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-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64936447
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-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 107594300
5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine
CID 64939227
1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954676
1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952698
1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 104781812
2,5-di(propan-2-yl)-1-pyridin-3-ylpiperazine
CID 64952663
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine (CID 64954088) is 1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine is Cc1ccc(N2CC(C(C)C)NCC2C(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is ZHRODINNALUEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-11(2)16-10-20(17(9-19-16)12(3)4)14-7-6-13(5)15(18)8-14/h6-8,11-12,16-17,19H,9-10H2,1-5H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine?
1-(3-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-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64954088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).