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

C15H26Cl2N2O2 — CID 171273417

IUPAC1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(OC)c(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O2.2ClH/c1-4-13(17-9-7-16-8-10-17)12-5-6-14(18-2)15(11-12)19-3;;/h5-6,11,13,16H,4,7-10H2,1-3H3;2*1H/t13-;;/m0../s1
InChIKeyGFVKYSDKGISDTH-GXKRWWSZSA-N
MW337.29 g/mol
LogP2.90
Rot. Bonds5

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

1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride (PubChem CID 171273417) has the molecular formula C15H26Cl2N2O2 and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
PubChem CID171273417
Molecular FormulaC15H26Cl2N2O2
Molecular Weight337.29 g/mol
Exact Mass336.14
IUPAC Name1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1ccc(OC)c(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O2.2ClH/c1-4-13(17-9-7-16-8-10-17)12-5-6-14(18-2)15(11-12)19-3;;/h5-6,11,13,16H,4,7-10H2,1-3H3;2*1H/t13-;;/m0../s1
InChIKeyGFVKYSDKGISDTH-GXKRWWSZSA-N
XLogP2.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171282575
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate
CID 171293547
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 112539500
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
CID 171293533

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride (CID 171273417) is 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride is CC[C@@H](c1ccc(OC)c(OC)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride?
The InChIKey is GFVKYSDKGISDTH-GXKRWWSZSA-N. The full InChI is InChI=1S/C15H24N2O2.2ClH/c1-4-13(17-9-7-16-8-10-17)12-5-6-14(18-2)15(11-12)19-3;;/h5-6,11,13,16H,4,7-10H2,1-3H3;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride?
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride has a molecular weight of 337.29 g/mol, XLogP of 2.90, 5 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)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).