1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine

C16H23F3N2 — CID 171310915

IUPAC1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
SMILESCC(C)CC[C@H](c1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C16H23F3N2/c1-11(2)3-4-15(21-7-5-20-6-8-21)16-13(18)9-12(17)10-14(16)19/h9-11,15,20H,3-8H2,1-2H3/t15-/m1/s1
InChIKeyDXKIYRMZKCFGQK-OAHLLOKOSA-N
MW300.37 g/mol
LogP3.49
Rot. Bonds5

About 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine

1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine (PubChem CID 171310915) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
PubChem CID171310915
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
SMILESCC(C)CC[C@H](c1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C16H23F3N2/c1-11(2)3-4-15(21-7-5-20-6-8-21)16-13(18)9-12(17)10-14(16)19/h9-11,15,20H,3-8H2,1-2H3/t15-/m1/s1
InChIKeyDXKIYRMZKCFGQK-OAHLLOKOSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
CID 171169989
1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine
CID 171169905
1-[(1R)-4-methyl-1-(2,3,5-trifluorophenyl)pentyl]piperazine;dihydrochloride
CID 171310928
1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171169950
1-[(1R)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311313
(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171174411
1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine
CID 171310903
3,5-difluoro-2-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300143
1-[(1S)-1-(2-bromo-6-fluorophenyl)-4-methylpentyl]piperazine
CID 171310093
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine
CID 171169981
1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
CID 171310942
1-[(1S)-1-(2,4,6-trifluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171164612

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine (CID 171310915) is 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine is CC(C)CC[C@H](c1c(F)cc(F)cc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine?
The InChIKey is DXKIYRMZKCFGQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-11(2)3-4-15(21-7-5-20-6-8-21)16-13(18)9-12(17)10-14(16)19/h9-11,15,20H,3-8H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine?
1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine is sourced from PubChem (CID 171310915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).