1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride

C17H30Cl2N2O — CID 171309604

IUPAC1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccc(OC)cc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-4-5-6-17(19-11-9-18-10-12-19)16-8-7-15(20-3)13-14(16)2;;/h7-8,13,17-18H,4-6,9-12H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyWPRKXNPMEILQOK-RMRYJAPISA-N
MW349.35 g/mol
LogP3.98
Rot. Bonds6

About 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride

1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171309604) has the molecular formula C17H30Cl2N2O and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171309604
Molecular FormulaC17H30Cl2N2O
Molecular Weight349.35 g/mol
Exact Mass348.17
IUPAC Name1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccc(OC)cc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O.2ClH/c1-4-5-6-17(19-11-9-18-10-12-19)16-8-7-15(20-3)13-14(16)2;;/h7-8,13,17-18H,4-6,9-12H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyWPRKXNPMEILQOK-RMRYJAPISA-N
XLogP3.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171165648
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171167300
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-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole
CID 171308695
1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171171020

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride (CID 171309604) is 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride is CCCC[C@@H](c1ccc(OC)cc1C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is WPRKXNPMEILQOK-RMRYJAPISA-N. The full InChI is InChI=1S/C17H28N2O.2ClH/c1-4-5-6-17(19-11-9-18-10-12-19)16-8-7-15(20-3)13-14(16)2;;/h7-8,13,17-18H,4-6,9-12H2,1-3H3;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride?
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 349.35 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171309604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).