2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride

C15H24Br2Cl2N2O — CID 171286577

IUPAC2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride
SMILESCC(C)(C)[C@H](c1cc(Br)c(O)c(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22Br2N2O.2ClH/c1-15(2,3)14(19-6-4-18-5-7-19)10-8-11(16)13(20)12(17)9-10;;/h8-9,14,18,20H,4-7H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyPNLHKBXEZPCZIP-UTLKBRERSA-N
MW479.08 g/mol
LogP4.75
Rot. Bonds2

About 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride

2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride (PubChem CID 171286577) has the molecular formula C15H24Br2Cl2N2O and a molecular weight of 479.08 g/mol. Its IUPAC name is 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride
PubChem CID171286577
Molecular FormulaC15H24Br2Cl2N2O
Molecular Weight479.08 g/mol
Exact Mass475.96
IUPAC Name2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride
SMILESCC(C)(C)[C@H](c1cc(Br)c(O)c(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22Br2N2O.2ClH/c1-15(2,3)14(19-6-4-18-5-7-19)10-8-11(16)13(20)12(17)9-10;;/h8-9,14,18,20H,4-7H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyPNLHKBXEZPCZIP-UTLKBRERSA-N
XLogP4.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.08
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272285
1-[(1R)-1-(3,5-dibromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295363
2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171296846
2,6-dibromo-4-[(1S)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171175218
4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2,6-dimethoxyphenol
CID 171273795
2-bromo-6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol
CID 171298149
1-[(1S)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171276834
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171275614
1-[(1S)-1-(3,5-difluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277274
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine
CID 171288417
1-[(1R)-1-[3-bromo-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171137

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride?
The IUPAC name of 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride (CID 171286577) is 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride.
What is the SMILES notation for 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride?
The canonical SMILES for 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride is CC(C)(C)[C@H](c1cc(Br)c(O)c(Br)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride?
The InChIKey is PNLHKBXEZPCZIP-UTLKBRERSA-N. The full InChI is InChI=1S/C15H22Br2N2O.2ClH/c1-15(2,3)14(19-6-4-18-5-7-19)10-8-11(16)13(20)12(17)9-10;;/h8-9,14,18,20H,4-7H2,1-3H3;2*1H/t14-;;/m0../s1.
What are the key properties of 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride?
2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride has a molecular weight of 479.08 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride is sourced from PubChem (CID 171286577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).