1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine

C15H22Br2N2 — CID 171308409

IUPAC1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(Br)ccc1Br)N1CCNCC1
InChIInChI=1S/C15H22Br2N2/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-/m1/s1
InChIKeyDQUPSWPURJXNDD-OAHLLOKOSA-N
MW390.16 g/mol
LogP4.35
Rot. Bonds5

About 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine

1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine (PubChem CID 171308409) has the molecular formula C15H22Br2N2 and a molecular weight of 390.16 g/mol. Its IUPAC name is 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine
PubChem CID171308409
Molecular FormulaC15H22Br2N2
Molecular Weight390.16 g/mol
Exact Mass388.01
IUPAC Name1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(Br)ccc1Br)N1CCNCC1
InChIInChI=1S/C15H22Br2N2/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-/m1/s1
InChIKeyDQUPSWPURJXNDD-OAHLLOKOSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.16
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
CID 171309037
1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
CID 171163752
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309239
1-[(1R)-1-(2-bromo-5-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307633
1-[(1S)-1-(5-bromo-2-chlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309040
4-bromo-3-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171309008
5-bromo-2-[(1R)-1-piperazin-1-ylhexyl]phenol
CID 171307789
5-bromo-2-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309087
2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride
CID 171307375
1-[(1S)-1-(2-bromo-4-methylphenyl)pentyl]piperazine
CID 171308887
1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171296249
4-bromo-3-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171276571

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine (CID 171308409) is 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine is CCCC[C@H](c1cc(Br)ccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine?
The InChIKey is DQUPSWPURJXNDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22Br2N2/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-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine?
1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine has a molecular weight of 390.16 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine is sourced from PubChem (CID 171308409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).