1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride

C15H25BrCl2N2 — CID 171273335

IUPAC1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@@H](c1cccc(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23BrN2.2ClH/c1-15(2,3)14(18-9-7-17-8-10-18)12-5-4-6-13(16)11-12;;/h4-6,11,14,17H,7-10H2,1-3H3;2*1H/t14-;;/m1../s1
InChIKeyVKHPBZWGTMCNPT-FMOMHUKBSA-N
MW384.19 g/mol
LogP4.29
Rot. Bonds2

About 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride

1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (PubChem CID 171273335) has the molecular formula C15H25BrCl2N2 and a molecular weight of 384.19 g/mol. Its IUPAC name is 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
PubChem CID171273335
Molecular FormulaC15H25BrCl2N2
Molecular Weight384.19 g/mol
Exact Mass382.06
IUPAC Name1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@@H](c1cccc(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23BrN2.2ClH/c1-15(2,3)14(18-9-7-17-8-10-18)12-5-4-6-13(16)11-12;;/h4-6,11,14,17H,7-10H2,1-3H3;2*1H/t14-;;/m1../s1
InChIKeyVKHPBZWGTMCNPT-FMOMHUKBSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-[(1S)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285937
1-[(1R)-1-(3,5-dibromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295363
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
1-[(1S)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171276834
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropyl]piperazine
CID 171169028
2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171286577
1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171273311
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
1-[(1R)-1-(3-bromophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310660

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride (CID 171273335) is 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride is CC(C)(C)[C@@H](c1cccc(Br)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
The InChIKey is VKHPBZWGTMCNPT-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H23BrN2.2ClH/c1-15(2,3)14(18-9-7-17-8-10-18)12-5-4-6-13(16)11-12;;/h4-6,11,14,17H,7-10H2,1-3H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride?
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride has a molecular weight of 384.19 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).