1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride

C18H32Cl2N2O — CID 171307836

IUPAC1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cccc(OCC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H30N2O.2ClH/c1-3-5-6-10-18(20-13-11-19-12-14-20)16-8-7-9-17(15-16)21-4-2;;/h7-9,15,18-19H,3-6,10-14H2,1-2H3;2*1H/t18-;;/m1../s1
InChIKeyASJTXJALIQOHFG-JPKZNVRTSA-N
MW363.37 g/mol
LogP4.46
Rot. Bonds8

About 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride

1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171307836) has the molecular formula C18H32Cl2N2O and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
PubChem CID171307836
Molecular FormulaC18H32Cl2N2O
Molecular Weight363.37 g/mol
Exact Mass362.19
IUPAC Name1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cccc(OCC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H30N2O.2ClH/c1-3-5-6-10-18(20-13-11-19-12-14-20)16-8-7-9-17(15-16)21-4-2;;/h7-9,15,18-19H,3-6,10-14H2,1-2H3;2*1H/t18-;;/m1../s1
InChIKeyASJTXJALIQOHFG-JPKZNVRTSA-N
XLogP4.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.46
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-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1R)-1-(4-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307483
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171172081
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865
1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171309375
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171308077
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
CID 171308361
2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
CID 61048843

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride (CID 171307836) is 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@H](c1cccc(OCC)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is ASJTXJALIQOHFG-JPKZNVRTSA-N. The full InChI is InChI=1S/C18H30N2O.2ClH/c1-3-5-6-10-18(20-13-11-19-12-14-20)16-8-7-9-17(15-16)21-4-2;;/h7-9,15,18-19H,3-6,10-14H2,1-2H3;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 363.37 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171307836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).