2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol

C16H24Br2N2O — CID 171310693

IUPAC2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
SMILESCC(C)CC[C@H](c1cc(Br)c(O)c(Br)c1)N1CCNCC1
InChIInChI=1S/C16H24Br2N2O/c1-11(2)3-4-15(20-7-5-19-6-8-20)12-9-13(17)16(21)14(18)10-12/h9-11,15,19,21H,3-8H2,1-2H3/t15-/m1/s1
InChIKeyFSTNVZRYSWOEAY-OAHLLOKOSA-N
MW420.19 g/mol
LogP4.30
Rot. Bonds5

About 2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol

2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol (PubChem CID 171310693) has the molecular formula C16H24Br2N2O and a molecular weight of 420.19 g/mol. Its IUPAC name is 2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
PubChem CID171310693
Molecular FormulaC16H24Br2N2O
Molecular Weight420.19 g/mol
Exact Mass418.03
IUPAC Name2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
SMILESCC(C)CC[C@H](c1cc(Br)c(O)c(Br)c1)N1CCNCC1
InChIInChI=1S/C16H24Br2N2O/c1-11(2)3-4-15(20-7-5-19-6-8-20)12-9-13(17)16(21)14(18)10-12/h9-11,15,19,21H,3-8H2,1-2H3/t15-/m1/s1
InChIKeyFSTNVZRYSWOEAY-OAHLLOKOSA-N
XLogP4.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.19
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibromo-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171309928
5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
CID 171310689
2,6-ditert-butyl-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171309829
2,6-dibromo-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171303377
2,6-dibromo-4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171182896
2,6-dibromo-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171286553
1-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310798
1-[(1R)-1-(3-bromophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310660
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171309861
2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171278504
1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171310677
5-bromo-2-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310144

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol (CID 171310693) is 2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol is CC(C)CC[C@H](c1cc(Br)c(O)c(Br)c1)N1CCNCC1.
What is the InChIKey of 2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol?
The InChIKey is FSTNVZRYSWOEAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24Br2N2O/c1-11(2)3-4-15(20-7-5-19-6-8-20)12-9-13(17)16(21)14(18)10-12/h9-11,15,19,21H,3-8H2,1-2H3/t15-/m1/s1.
What are the key properties of 2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol?
2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol has a molecular weight of 420.19 g/mol, XLogP of 4.30, 5 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)-4-methyl-1-piperazin-1-ylpentyl]phenol is sourced from PubChem (CID 171310693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).