1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride

C18H32Cl2N2O2 — CID 171308814

IUPAC1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@@H](c1ccc(OC)cc1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H30N2O2.2ClH/c1-4-5-6-7-17(20-12-10-19-11-13-20)16-9-8-15(21-2)14-18(16)22-3;;/h8-9,14,17,19H,4-7,10-13H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeySQIVPTNSSYCXGQ-RMRYJAPISA-N
MW379.37 g/mol
LogP4.07
Rot. Bonds8

About 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride

1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171308814) has the molecular formula C18H32Cl2N2O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
PubChem CID171308814
Molecular FormulaC18H32Cl2N2O2
Molecular Weight379.37 g/mol
Exact Mass378.18
IUPAC Name1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@@H](c1ccc(OC)cc1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H30N2O2.2ClH/c1-4-5-6-7-17(20-12-10-19-11-13-20)16-9-8-15(21-2)14-18(16)22-3;;/h8-9,14,17,19H,4-7,10-13H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeySQIVPTNSSYCXGQ-RMRYJAPISA-N
XLogP4.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
1-[(1S)-1-(2,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163322
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
1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]butyl]piperazine;dihydrochloride
CID 171284357
1-[(1S)-1-(2,4-dimethoxyphenyl)-3-methylbutyl]piperazine
CID 95493723
1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171307378
(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174205

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride (CID 171308814) is 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@@H](c1ccc(OC)cc1OC)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is SQIVPTNSSYCXGQ-RMRYJAPISA-N. The full InChI is InChI=1S/C18H30N2O2.2ClH/c1-4-5-6-7-17(20-12-10-19-11-13-20)16-9-8-15(21-2)14-18(16)22-3;;/h8-9,14,17,19H,4-7,10-13H2,1-3H3;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 379.37 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).