1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride

C17H30Cl2N2O2 — CID 171308662

IUPAC1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccc(OC)c(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-4-5-6-15(19-11-9-18-10-12-19)14-7-8-16(20-2)17(13-14)21-3;;/h7-8,13,15,18H,4-6,9-12H2,1-3H3;2*1H/t15-;;/m0../s1
InChIKeyOEHMPLCYSPBNKC-CKUXDGONSA-N
MW365.35 g/mol
LogP3.68
Rot. Bonds7

About 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride

1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171308662) has the molecular formula C17H30Cl2N2O2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171308662
Molecular FormulaC17H30Cl2N2O2
Molecular Weight365.35 g/mol
Exact Mass364.17
IUPAC Name1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccc(OC)c(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-4-5-6-15(19-11-9-18-10-12-19)14-7-8-16(20-2)17(13-14)21-3;;/h7-8,13,15,18H,4-6,9-12H2,1-3H3;2*1H/t15-;;/m0../s1
InChIKeyOEHMPLCYSPBNKC-CKUXDGONSA-N
XLogP3.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171163687
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
1-[(1S)-1-(3-bromo-4-methoxyphenyl)pentyl]piperazine
CID 171309147
1-[1-(3-ethoxy-4-methoxyphenyl)pentyl]-1,4-diazepane
CID 3285664
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
1-[(1S)-1-(4-chloro-3-methoxyphenyl)hexyl]piperazine
CID 171309433
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
CID 171293533
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride (CID 171308662) is 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride is CCCC[C@@H](c1ccc(OC)c(OC)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is OEHMPLCYSPBNKC-CKUXDGONSA-N. The full InChI is InChI=1S/C17H28N2O2.2ClH/c1-4-5-6-15(19-11-9-18-10-12-19)14-7-8-16(20-2)17(13-14)21-3;;/h7-8,13,15,18H,4-6,9-12H2,1-3H3;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride?
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).