1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine

C16H24BrClN2 — CID 171310107

IUPAC1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@@H](c1cc(Br)ccc1Cl)N1CCNCC1
InChIInChI=1S/C16H24BrClN2/c1-12(2)3-6-16(20-9-7-19-8-10-20)14-11-13(17)4-5-15(14)18/h4-5,11-12,16,19H,3,6-10H2,1-2H3/t16-/m0/s1
InChIKeyGYMVAEHVONGHTJ-INIZCTEOSA-N
MW359.74 g/mol
LogP4.49
Rot. Bonds5

About 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine

1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine (PubChem CID 171310107) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
PubChem CID171310107
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@@H](c1cc(Br)ccc1Cl)N1CCNCC1
InChIInChI=1S/C16H24BrClN2/c1-12(2)3-6-16(20-9-7-19-8-10-20)14-11-13(17)4-5-15(14)18/h4-5,11-12,16,19H,3,6-10H2,1-2H3/t16-/m0/s1
InChIKeyGYMVAEHVONGHTJ-INIZCTEOSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(5-bromo-2-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171276906
1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
CID 171309037
1-[(1S)-1-(5-bromo-2-chlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309040
1-[(1R)-1-(5-bromo-2-chlorophenyl)-2-fluoroethyl]piperazine
CID 171182413
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767
5-bromo-2-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310144
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1R)-1-(5-bromo-2-chlorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303608
5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310197
2,4-dibromo-6-[(1S)-4-methyl-1-piperazin-1-ylpentyl]aniline;dihydrochloride
CID 171309906
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine (CID 171310107) is 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine is CC(C)CC[C@@H](c1cc(Br)ccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine?
The InChIKey is GYMVAEHVONGHTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-12(2)3-6-16(20-9-7-19-8-10-20)14-11-13(17)4-5-15(14)18/h4-5,11-12,16,19H,3,6-10H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine?
1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine has a molecular weight of 359.74 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).