1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride

C16H28Cl2N2O — CID 171307435

IUPAC1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cccc(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2O.2ClH/c1-3-4-8-16(18-11-9-17-10-12-18)14-6-5-7-15(13-14)19-2;;/h5-7,13,16-17H,3-4,8-12H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyCHFOSMVLCSSMDK-GGMCWBHBSA-N
MW335.32 g/mol
LogP3.68
Rot. Bonds6

About 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride

1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171307435) has the molecular formula C16H28Cl2N2O and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171307435
Molecular FormulaC16H28Cl2N2O
Molecular Weight335.32 g/mol
Exact Mass334.16
IUPAC Name1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cccc(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2O.2ClH/c1-3-4-8-16(18-11-9-17-10-12-18)14-6-5-7-15(13-14)19-2;;/h5-7,13,16-17H,3-4,8-12H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyCHFOSMVLCSSMDK-GGMCWBHBSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171308077
1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171309375
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171172081
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride (CID 171307435) is 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride is CCCC[C@H](c1cccc(OC)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is CHFOSMVLCSSMDK-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H26N2O.2ClH/c1-3-4-8-16(18-11-9-17-10-12-18)14-6-5-7-15(13-14)19-2;;/h5-7,13,16-17H,3-4,8-12H2,1-2H3;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 335.32 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171307435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).