1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine

C15H22F2N2 — CID 82305169

IUPAC1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
SMILESCC(C)CC(c1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C15H22F2N2/c1-11(2)9-15(19-7-5-18-6-8-19)12-3-4-13(16)14(17)10-12/h3-4,10-11,15,18H,5-9H2,1-2H3
InChIKeyHQXHVBSMDHGHLN-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.96
Rot. Bonds4

About 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine

1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine (PubChem CID 82305169) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
PubChem CID82305169
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
SMILESCC(C)CC(c1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C15H22F2N2/c1-11(2)9-15(19-7-5-18-6-8-19)12-3-4-13(16)14(17)10-12/h3-4,10-11,15,18H,5-9H2,1-2H3
InChIKeyHQXHVBSMDHGHLN-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171163329
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
1-[(1S)-1-(3,4-dimethylphenyl)-3-methylbutyl]piperazine
CID 95467094
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603
1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
CID 171169989
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287565
1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172047
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171169098
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine?
The IUPAC name of 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine (CID 82305169) is 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine is CC(C)CC(c1ccc(F)c(F)c1)N1CCNCC1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine?
The InChIKey is HQXHVBSMDHGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-11(2)9-15(19-7-5-18-6-8-19)12-3-4-13(16)14(17)10-12/h3-4,10-11,15,18H,5-9H2,1-2H3.
What are the key properties of 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine?
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine has a molecular weight of 268.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine is sourced from PubChem (CID 82305169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).