1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride

C20H36Cl2N2O — CID 171311326

IUPAC1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@@H](CCC(C)C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H34N2O.2ClH/c1-15(2)6-8-19(22-12-10-21-11-13-22)18-14-17(16(3)4)7-9-20(18)23-5;;/h7,9,14-16,19,21H,6,8,10-13H2,1-5H3;2*1H/t19-;;/m1../s1
InChIKeyONUSJDSJCSVJSQ-JQDLGSOUSA-N
MW391.43 g/mol
LogP5.04
Rot. Bonds7

About 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride

1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride (PubChem CID 171311326) 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)-4-methylpentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
PubChem CID171311326
Molecular FormulaC20H36Cl2N2O
Molecular Weight391.43 g/mol
Exact Mass390.22
IUPAC Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@@H](CCC(C)C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H34N2O.2ClH/c1-15(2)6-8-19(22-12-10-21-11-13-22)18-14-17(16(3)4)7-9-20(18)23-5;;/h7,9,14-16,19,21H,6,8,10-13H2,1-5H3;2*1H/t19-;;/m1../s1
InChIKeyONUSJDSJCSVJSQ-JQDLGSOUSA-N
XLogP5.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride
CID 171308476
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine
CID 95480430
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767
1-[(1S)-1-(2-methoxy-5-propan-2-ylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171284240
(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-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311328
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304943
1-[(1S)-2,2-difluoro-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296858
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310391

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride (CID 171311326) is 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride is COc1ccc(C(C)C)cc1[C@@H](CCC(C)C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride?
The InChIKey is ONUSJDSJCSVJSQ-JQDLGSOUSA-N. The full InChI is InChI=1S/C20H34N2O.2ClH/c1-15(2)6-8-19(22-12-10-21-11-13-22)18-14-17(16(3)4)7-9-20(18)23-5;;/h7,9,14-16,19,21H,6,8,10-13H2,1-5H3;2*1H/t19-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride has a molecular weight of 391.43 g/mol, XLogP of 5.04, 7 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)-4-methylpentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171311326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).