1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine

C16H25FN2 — CID 171304510

IUPAC1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1cc(F)ccc1C)N1CCNCC1
InChIInChI=1S/C16H25FN2/c1-4-12(2)16(19-9-7-18-8-10-19)15-11-14(17)6-5-13(15)3/h5-6,11-12,16,18H,4,7-10H2,1-3H3/t12?,16-/m1/s1
InChIKeyKZFIMKVFRRHQRW-PVQCJRHBSA-N
MW264.39 g/mol
LogP3.13
Rot. Bonds4

About 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine

1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine (PubChem CID 171304510) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine
PubChem CID171304510
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1cc(F)ccc1C)N1CCNCC1
InChIInChI=1S/C16H25FN2/c1-4-12(2)16(19-9-7-18-8-10-19)15-11-14(17)6-5-13(15)3/h5-6,11-12,16,18H,4,7-10H2,1-3H3/t12?,16-/m1/s1
InChIKeyKZFIMKVFRRHQRW-PVQCJRHBSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
CID 171305268
1-[(1S)-1-(2,4-difluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305031
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305445
1-[(1S)-2-methyl-1-(2,3,5-trifluorophenyl)butyl]piperazine
CID 171305310
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-[(1S)-2-methyl-1-(2,4,5-trifluorophenyl)butyl]piperazine
CID 171305480
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766
1-[(1R)-1-(2-fluoro-5-iodophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304933
1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305449

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine (CID 171304510) is 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine is CCC(C)[C@H](c1cc(F)ccc1C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine?
The InChIKey is KZFIMKVFRRHQRW-PVQCJRHBSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-12(2)16(19-9-7-18-8-10-19)15-11-14(17)6-5-13(15)3/h5-6,11-12,16,18H,4,7-10H2,1-3H3/t12?,16-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine?
1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine has a molecular weight of 264.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine is sourced from PubChem (CID 171304510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).