1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine

C15H22F2N2 — CID 171305268

IUPAC1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@@H](c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C15H22F2N2/c1-3-11(2)15(19-8-6-18-7-9-19)13-10-12(16)4-5-14(13)17/h4-5,10-11,15,18H,3,6-9H2,1-2H3/t11?,15-/m0/s1
InChIKeyMDRLDEJPYIGFBZ-MHTVFEQDSA-N
MW268.35 g/mol
LogP2.96
Rot. Bonds4

About 1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine

1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine (PubChem CID 171305268) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
PubChem CID171305268
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@@H](c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C15H22F2N2/c1-3-11(2)15(19-8-6-18-7-9-19)13-10-12(16)4-5-14(13)17/h4-5,10-11,15,18H,3,6-9H2,1-2H3/t11?,15-/m0/s1
InChIKeyMDRLDEJPYIGFBZ-MHTVFEQDSA-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-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine
CID 171304510
1-[(1S)-1-(2,4-difluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305031
1-[(1R)-1-(2-fluoro-5-iodophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304933
1-[(1S)-2-methyl-1-(2,4,5-trifluorophenyl)butyl]piperazine
CID 171305480
1-[(1S)-2-methyl-1-(2,3,5-trifluorophenyl)butyl]piperazine
CID 171305310
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305445
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304375
1-[(1S)-2-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine;dihydrochloride
CID 171305299
1-[1-(2,5-difluorophenyl)propyl]-1,4-diazepane
CID 82298844

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine (CID 171305268) is 1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine is CCC(C)[C@@H](c1cc(F)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine?
The InChIKey is MDRLDEJPYIGFBZ-MHTVFEQDSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-11(2)15(19-8-6-18-7-9-19)13-10-12(16)4-5-14(13)17/h4-5,10-11,15,18H,3,6-9H2,1-2H3/t11?,15-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine?
1-[(1S)-1-(2,5-difluorophenyl)-2-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-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine is sourced from PubChem (CID 171305268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).