5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol

C17H28N2O — CID 171308211

IUPAC5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol
SMILESCCCCC[C@H](c1ccc(C)cc1O)N1CCNCC1
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-16(19-11-9-18-10-12-19)15-8-7-14(2)13-17(15)20/h7-8,13,16,18,20H,3-6,9-12H2,1-2H3/t16-/m1/s1
InChIKeyUVLAUNJIQCTSLA-MRXNPFEDSA-N
MW276.42 g/mol
LogP3.23
Rot. Bonds6

About 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol

5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol (PubChem CID 171308211) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol
PubChem CID171308211
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol
SMILESCCCCC[C@H](c1ccc(C)cc1O)N1CCNCC1
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-16(19-11-9-18-10-12-19)15-8-7-14(2)13-17(15)20/h7-8,13,16,18,20H,3-6,9-12H2,1-2H3/t16-/m1/s1
InChIKeyUVLAUNJIQCTSLA-MRXNPFEDSA-N
XLogP3.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(1R)-1-piperazin-1-ylhexyl]phenol
CID 171307789
5-bromo-2-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309087
4-[(1S)-1-piperazin-1-ylpentyl]benzene-1,3-diol;dihydrochloride
CID 171308726
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
5-(diethylamino)-2-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308548
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745
1-[(1S)-1-(2-bromo-4-methylphenyl)pentyl]piperazine
CID 171308887
5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307249
3-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol;dihydrochloride
CID 171307509
1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
2-methyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309517
4-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol
CID 171307270

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol?
The IUPAC name of 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol (CID 171308211) is 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol.
What is the SMILES notation for 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol?
The canonical SMILES for 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol is CCCCC[C@H](c1ccc(C)cc1O)N1CCNCC1.
What is the InChIKey of 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol?
The InChIKey is UVLAUNJIQCTSLA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-5-6-16(19-11-9-18-10-12-19)15-8-7-14(2)13-17(15)20/h7-8,13,16,18,20H,3-6,9-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol?
5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol is sourced from PubChem (CID 171308211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).