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

C15H22BrClN2 — CID 171309037

IUPAC1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(Br)ccc1Cl)N1CCNCC1
InChIInChI=1S/C15H22BrClN2/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(16)5-6-14(13)17/h5-6,11,15,18H,2-4,7-10H2,1H3/t15-/m0/s1
InChIKeyZKAPFSRIMJXPFZ-HNNXBMFYSA-N
MW345.71 g/mol
LogP4.24
Rot. Bonds5

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

1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine (PubChem CID 171309037) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
PubChem CID171309037
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC Name1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(Br)ccc1Cl)N1CCNCC1
InChIInChI=1S/C15H22BrClN2/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(16)5-6-14(13)17/h5-6,11,15,18H,2-4,7-10H2,1H3/t15-/m0/s1
InChIKeyZKAPFSRIMJXPFZ-HNNXBMFYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(5-bromo-2-chlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309040
1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine
CID 171308409
1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
CID 171310107
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1R)-1-(5-bromo-2-chlorophenyl)-2-fluoroethyl]piperazine
CID 171182413
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309341
1-[(1S)-1-(5-bromo-2-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171276906
1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
CID 171163752
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
5-bromo-2-[(1R)-1-piperazin-1-ylhexyl]phenol
CID 171307789
5-bromo-2-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309087

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine (CID 171309037) is 1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine is CCCC[C@@H](c1cc(Br)ccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine?
The InChIKey is ZKAPFSRIMJXPFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(16)5-6-14(13)17/h5-6,11,15,18H,2-4,7-10H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine?
1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine has a molecular weight of 345.71 g/mol, XLogP of 4.24, 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)pentyl]piperazine is sourced from PubChem (CID 171309037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).