1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine

C17H24BrF3N2 — CID 171311001

IUPAC1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1cc(C(F)(F)F)ccc1Br)N1CCNCC1
InChIInChI=1S/C17H24BrF3N2/c1-12(2)3-6-16(23-9-7-22-8-10-23)14-11-13(17(19,20)21)4-5-15(14)18/h4-5,11-12,16,22H,3,6-10H2,1-2H3/t16-/m1/s1
InChIKeyZDIRRPJGPOPFLY-MRXNPFEDSA-N
MW393.29 g/mol
LogP4.85
Rot. Bonds5

About 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine

1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine (PubChem CID 171311001) has the molecular formula C17H24BrF3N2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
PubChem CID171311001
Molecular FormulaC17H24BrF3N2
Molecular Weight393.29 g/mol
Exact Mass392.11
IUPAC Name1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1cc(C(F)(F)F)ccc1Br)N1CCNCC1
InChIInChI=1S/C17H24BrF3N2/c1-12(2)3-6-16(23-9-7-22-8-10-23)14-11-13(17(19,20)21)4-5-15(14)18/h4-5,11-12,16,22H,3,6-10H2,1-2H3/t16-/m1/s1
InChIKeyZDIRRPJGPOPFLY-MRXNPFEDSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine;dihydrochloride
CID 171311002
1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171310315
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309239
1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine;dihydrochloride
CID 171311008
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171310345
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171278983
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170551
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine
CID 171165215
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
CID 171170574
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171291593
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310148
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine (CID 171311001) is 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine is CC(C)CC[C@H](c1cc(C(F)(F)F)ccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine?
The InChIKey is ZDIRRPJGPOPFLY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24BrF3N2/c1-12(2)3-6-16(23-9-7-22-8-10-23)14-11-13(17(19,20)21)4-5-15(14)18/h4-5,11-12,16,22H,3,6-10H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine?
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine has a molecular weight of 393.29 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine is sourced from PubChem (CID 171311001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).