4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride

C17H30Cl2N2O2 — CID 171307637

IUPAC4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
SMILESCCCCC[C@H](c1cc(OC)ccc1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-3-4-5-6-16(19-11-9-18-10-12-19)15-13-14(21-2)7-8-17(15)20;;/h7-8,13,16,18,20H,3-6,9-12H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyGZFQMUCTVGIKPG-GGMCWBHBSA-N
MW365.35 g/mol
LogP3.77
Rot. Bonds7

About 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride

4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride (PubChem CID 171307637) has the molecular formula C17H30Cl2N2O2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
PubChem CID171307637
Molecular FormulaC17H30Cl2N2O2
Molecular Weight365.35 g/mol
Exact Mass364.17
IUPAC Name4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
SMILESCCCCC[C@H](c1cc(OC)ccc1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-3-4-5-6-16(19-11-9-18-10-12-19)15-13-14(21-2)7-8-17(15)20;;/h7-8,13,16,18,20H,3-6,9-12H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyGZFQMUCTVGIKPG-GGMCWBHBSA-N
XLogP3.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171275916
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171288520
4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307229
1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171171020
1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171165648
2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol;hydrochloride
CID 171168695

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride?
The IUPAC name of 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride (CID 171307637) is 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride.
What is the SMILES notation for 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride?
The canonical SMILES for 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride is CCCCC[C@H](c1cc(OC)ccc1O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride?
The InChIKey is GZFQMUCTVGIKPG-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H28N2O2.2ClH/c1-3-4-5-6-16(19-11-9-18-10-12-19)15-13-14(21-2)7-8-17(15)20;;/h7-8,13,16,18,20H,3-6,9-12H2,1-2H3;2*1H/t16-;;/m1../s1.
What are the key properties of 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride?
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride is sourced from PubChem (CID 171307637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).