1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine

C16H24F2N2 — CID 176931595

IUPAC1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine
SMILESCC(C)c1cc(F)c(N2CCN(C(C)C)CC2)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-11(2)13-9-14(17)16(15(18)10-13)20-7-5-19(6-8-20)12(3)4/h9-12H,5-8H2,1-4H3
InChIKeyCZUFQSMFVLEDII-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.62
Rot. Bonds3

About 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine

1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine (PubChem CID 176931595) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine
PubChem CID176931595
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine
SMILESCC(C)c1cc(F)c(N2CCN(C(C)C)CC2)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-11(2)13-9-14(17)16(15(18)10-13)20-7-5-19(6-8-20)12(3)4/h9-12H,5-8H2,1-4H3
InChIKeyCZUFQSMFVLEDII-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine
CID 178164768
1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine
CID 129149317
1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine
CID 129149269
1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol
CID 118656623
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 63052102
1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine
CID 162361422
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine
CID 139958043
1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
CID 55146978
1-fluoro-4-propan-2-yl-1,4-diazepane
CID 155701545

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine (CID 176931595) is 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine is CC(C)c1cc(F)c(N2CCN(C(C)C)CC2)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine?
The InChIKey is CZUFQSMFVLEDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-11(2)13-9-14(17)16(15(18)10-13)20-7-5-19(6-8-20)12(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine?
1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine has a molecular weight of 282.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 176931595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).