1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride

C17H30Cl2N2O2 — CID 171307391

IUPAC1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cc(OC)cc(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-4-5-6-17(19-9-7-18-8-10-19)14-11-15(20-2)13-16(12-14)21-3;;/h11-13,17-18H,4-10H2,1-3H3;2*1H/t17-;;/m1../s1
InChIKeyWXPKMDMXQIGMJC-ZEECNFPPSA-N
MW365.35 g/mol
LogP3.68
Rot. Bonds7

About 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride

1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171307391) has the molecular formula C17H30Cl2N2O2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171307391
Molecular FormulaC17H30Cl2N2O2
Molecular Weight365.35 g/mol
Exact Mass364.17
IUPAC Name1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cc(OC)cc(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-4-5-6-17(19-9-7-18-8-10-19)14-11-15(20-2)13-16(12-14)21-3;;/h11-13,17-18H,4-10H2,1-3H3;2*1H/t17-;;/m1../s1
InChIKeyWXPKMDMXQIGMJC-ZEECNFPPSA-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

Analyze 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171273682
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171168494
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[(1S)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
CID 171167769
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
CID 171173084
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
2,6-dimethoxy-4-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308702

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride (CID 171307391) is 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride is CCCC[C@H](c1cc(OC)cc(OC)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is WXPKMDMXQIGMJC-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H28N2O2.2ClH/c1-4-5-6-17(19-9-7-18-8-10-19)14-11-15(20-2)13-16(12-14)21-3;;/h11-13,17-18H,4-10H2,1-3H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride?
1-[(1R)-1-(3,5-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-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171307391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).