1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine

C16H25BrN2 — CID 171309839

IUPAC1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C16H25BrN2/c1-13(2)7-8-16(19-11-9-18-10-12-19)14-5-3-4-6-15(14)17/h3-6,13,16,18H,7-12H2,1-2H3/t16-/m0/s1
InChIKeyWYSCDQIHJUHEQK-INIZCTEOSA-N
MW325.29 g/mol
LogP3.83
Rot. Bonds5

About 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine

1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine (PubChem CID 171309839) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
PubChem CID171309839
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C16H25BrN2/c1-13(2)7-8-16(19-11-9-18-10-12-19)14-5-3-4-6-15(14)17/h3-6,13,16,18H,7-12H2,1-2H3/t16-/m0/s1
InChIKeyWYSCDQIHJUHEQK-INIZCTEOSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171285088
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1S)-1-(2-bromophenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171162714
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-bromo-3-fluorophenyl)-4-methylpentyl]piperazine
CID 171310131
1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182257
1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171310211
2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile
CID 171310787
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[(1S)-1-(2-bromo-6-fluorophenyl)-4-methylpentyl]piperazine
CID 171310093
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310148
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311001

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine (CID 171309839) is 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine is CC(C)CC[C@@H](c1ccccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine?
The InChIKey is WYSCDQIHJUHEQK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13(2)7-8-16(19-11-9-18-10-12-19)14-5-3-4-6-15(14)17/h3-6,13,16,18H,7-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine?
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine has a molecular weight of 325.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171309839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).