1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride

C20H36Cl2N2O — CID 171308476

IUPAC1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cc(C(C)C)ccc1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H34N2O.2ClH/c1-5-6-7-8-19(22-13-11-21-12-14-22)18-15-17(16(2)3)9-10-20(18)23-4;;/h9-10,15-16,19,21H,5-8,11-14H2,1-4H3;2*1H/t19-;;/m1../s1
InChIKeyGRTDURSMFWLMQZ-JQDLGSOUSA-N
MW391.43 g/mol
LogP5.19
Rot. Bonds8

About 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride

1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171308476) has the molecular formula C20H36Cl2N2O and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride
PubChem CID171308476
Molecular FormulaC20H36Cl2N2O
Molecular Weight391.43 g/mol
Exact Mass390.22
IUPAC Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cc(C(C)C)ccc1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H34N2O.2ClH/c1-5-6-7-8-19(22-13-11-21-12-14-22)18-15-17(16(2)3)9-10-20(18)23-4;;/h9-10,15-16,19,21H,5-8,11-14H2,1-4H3;2*1H/t19-;;/m1../s1
InChIKeyGRTDURSMFWLMQZ-JQDLGSOUSA-N
XLogP5.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311326
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine
CID 95480430
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
1-[(1S)-1-(2-methoxy-5-propan-2-ylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171284240
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
(3R)-3-(2-methoxy-5-propan-2-ylphenyl)-3-piperazin-1-ylpropanenitrile
CID 171307198
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304943
1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171307378

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride (CID 171308476) is 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@H](c1cc(C(C)C)ccc1OC)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is GRTDURSMFWLMQZ-JQDLGSOUSA-N. The full InChI is InChI=1S/C20H34N2O.2ClH/c1-5-6-7-8-19(22-13-11-21-12-14-22)18-15-17(16(2)3)9-10-20(18)23-4;;/h9-10,15-16,19,21H,5-8,11-14H2,1-4H3;2*1H/t19-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 391.43 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).