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

C17H30Cl2N2O — CID 171304539

IUPAC2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
SMILESCCC(C)[C@H](c1cc(C)c(O)c(C)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-5-12(2)16(19-8-6-18-7-9-19)15-10-13(3)17(20)14(4)11-15;;/h10-12,16,18,20H,5-9H2,1-4H3;2*1H/t12?,16-;;/m1../s1
InChIKeyACYNTESJMIATLR-OVGNOAHWSA-N
MW349.35 g/mol
LogP3.85
Rot. Bonds4

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

2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride (PubChem CID 171304539) has the molecular formula C17H30Cl2N2O and a molecular weight of 349.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
PubChem CID171304539
Molecular FormulaC17H30Cl2N2O
Molecular Weight349.35 g/mol
Exact Mass348.17
IUPAC Name2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
SMILESCCC(C)[C@H](c1cc(C)c(O)c(C)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-5-12(2)16(19-8-6-18-7-9-19)15-10-13(3)17(20)14(4)11-15;;/h10-12,16,18,20H,5-9H2,1-4H3;2*1H/t12?,16-;;/m1../s1
InChIKeyACYNTESJMIATLR-OVGNOAHWSA-N
XLogP3.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-4-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171305069
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
2,4,6-tribromo-3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304941
2-methyl-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305570
1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305273
3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171304359
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307810
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine
CID 171304510

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The IUPAC name of 2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride (CID 171304539) is 2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The canonical SMILES for 2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride is CCC(C)[C@H](c1cc(C)c(O)c(C)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The InChIKey is ACYNTESJMIATLR-OVGNOAHWSA-N. The full InChI is InChI=1S/C17H28N2O.2ClH/c1-5-12(2)16(19-8-6-18-7-9-19)15-10-13(3)17(20)14(4)11-15;;/h10-12,16,18,20H,5-9H2,1-4H3;2*1H/t12?,16-;;/m1../s1.
What are the key properties of 2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride has a molecular weight of 349.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride is sourced from PubChem (CID 171304539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).