1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride

C15H25BrCl2N2 — CID 171285088

IUPAC1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1ccccc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23BrN2.2ClH/c1-12(2)11-15(18-9-7-17-8-10-18)13-5-3-4-6-14(13)16;;/h3-6,12,15,17H,7-11H2,1-2H3;2*1H/t15-;;/m1../s1
InChIKeyKSQGHZZDTJRVRM-QCUBGVIVSA-N
MW384.19 g/mol
LogP4.29
Rot. Bonds4

About 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride

1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride (PubChem CID 171285088) has the molecular formula C15H25BrCl2N2 and a molecular weight of 384.19 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride
PubChem CID171285088
Molecular FormulaC15H25BrCl2N2
Molecular Weight384.19 g/mol
Exact Mass382.06
IUPAC Name1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1ccccc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23BrN2.2ClH/c1-12(2)11-15(18-9-7-17-8-10-18)13-5-3-4-6-14(13)16;;/h3-6,12,15,17H,7-11H2,1-2H3;2*1H/t15-;;/m1../s1
InChIKeyKSQGHZZDTJRVRM-QCUBGVIVSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171289332
1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171174919
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182257
2-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171274668
1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride
CID 171294063
1-[(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171288505
1-[(1S)-1-(2-bromo-3-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171164385
1-[(1R)-1-(2-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287501
1-[(1R)-1-(2-bromo-4-methylphenyl)-3-methylbutyl]piperazine
CID 171288132
1-[(1S)-1-(2-bromophenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171162714
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride (CID 171285088) is 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride is CC(C)C[C@H](c1ccccc1Br)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The InChIKey is KSQGHZZDTJRVRM-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H23BrN2.2ClH/c1-12(2)11-15(18-9-7-17-8-10-18)13-5-3-4-6-14(13)16;;/h3-6,12,15,17H,7-11H2,1-2H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride has a molecular weight of 384.19 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171285088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).