1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine

C15H22F2N2 — CID 171169542

IUPAC1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine
SMILESCC(C)C[C@H](c1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C15H22F2N2/c1-11(2)10-14(19-8-6-18-7-9-19)15-12(16)4-3-5-13(15)17/h3-5,11,14,18H,6-10H2,1-2H3/t14-/m1/s1
InChIKeyZDLOYXQOBAKBSO-CQSZACIVSA-N
MW268.35 g/mol
LogP2.96
Rot. Bonds4

About 1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine

1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine (PubChem CID 171169542) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine
PubChem CID171169542
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine
SMILESCC(C)C[C@H](c1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C15H22F2N2/c1-11(2)10-14(19-8-6-18-7-9-19)15-12(16)4-3-5-13(15)17/h3-5,11,14,18H,6-10H2,1-2H3/t14-/m1/s1
InChIKeyZDLOYXQOBAKBSO-CQSZACIVSA-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-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171181869
1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
CID 171169989
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)-3-methylbutyl]piperazine
CID 171171568
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171166241
(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
CID 171174339
1-[(1S)-1-(2-bromo-3-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171164385
1-[(1R)-1-(3-bromo-2,6-difluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170030
1-[(1S)-3-methyl-1-(2,3,5,6-tetrafluorophenyl)butyl]piperazine;hydrochloride
CID 171167050
1-[(1R)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine
CID 171182666
1-[(1S)-1-(2,6-difluoro-3-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171167759
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287474

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine (CID 171169542) is 1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine is CC(C)C[C@H](c1c(F)cccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine?
The InChIKey is ZDLOYXQOBAKBSO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-11(2)10-14(19-8-6-18-7-9-19)15-12(16)4-3-5-13(15)17/h3-5,11,14,18H,6-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine?
1-[(1R)-1-(2,6-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-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine is sourced from PubChem (CID 171169542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).