3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol

C17H28N2O — CID 171285589

IUPAC3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol
SMILESCc1cc(O)cc(C)c1[C@@H](CC(C)C)N1CCNCC1
InChIInChI=1S/C17H28N2O/c1-12(2)9-16(19-7-5-18-6-8-19)17-13(3)10-15(20)11-14(17)4/h10-12,16,18,20H,5-9H2,1-4H3/t16-/m1/s1
InChIKeyZSDHCRSEHPFVIV-MRXNPFEDSA-N
MW276.42 g/mol
LogP3.00
Rot. Bonds4

About 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol

3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol (PubChem CID 171285589) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol
PubChem CID171285589
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol
SMILESCc1cc(O)cc(C)c1[C@@H](CC(C)C)N1CCNCC1
InChIInChI=1S/C17H28N2O/c1-12(2)9-16(19-7-5-18-6-8-19)17-13(3)10-15(20)11-14(17)4/h10-12,16,18,20H,5-9H2,1-4H3/t16-/m1/s1
InChIKeyZSDHCRSEHPFVIV-MRXNPFEDSA-N
XLogP3.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-3-methyl-1-piperazin-1-ylbutyl]benzene-1,3,5-triol;dihydrochloride
CID 171284687
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
CID 171272960
3,5-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171285570
3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171285559
6-amino-3-methyl-2-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300547
1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
CID 171169989
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
CID 171296585
1-[(1S)-2-fluoro-1-(2,4,6-trimethylphenyl)ethyl]piperazine;hydrochloride
CID 171181928
1-[(1S)-1-(3,4-dimethylphenyl)-3-methylbutyl]piperazine
CID 95467094
1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
CID 171310942
1-[(1S)-3-methyl-1-(2,3,5,6-tetrafluorophenyl)butyl]piperazine;hydrochloride
CID 171167050
2-[(1R)-3-methyl-1-piperazin-1-ylbutyl]benzene-1,4-diol;dihydrochloride
CID 171287437

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol?
The IUPAC name of 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol (CID 171285589) is 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol.
What is the SMILES notation for 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol?
The canonical SMILES for 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol is Cc1cc(O)cc(C)c1[C@@H](CC(C)C)N1CCNCC1.
What is the InChIKey of 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol?
The InChIKey is ZSDHCRSEHPFVIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)9-16(19-7-5-18-6-8-19)17-13(3)10-15(20)11-14(17)4/h10-12,16,18,20H,5-9H2,1-4H3/t16-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol?
3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol is sourced from PubChem (CID 171285589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).