1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride

C14H24Cl2N2O2 — CID 171274106

IUPAC1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(OC)c([C@H](C)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-11(16-8-6-15-7-9-16)13-10-12(17-2)4-5-14(13)18-3;;/h4-5,10-11,15H,6-9H2,1-3H3;2*1H/t11-;;/m0../s1
InChIKeyHSNFQEFVRKJMSV-IDMXKUIJSA-N
MW323.26 g/mol
LogP2.51
Rot. Bonds4

About 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171274106) has the molecular formula C14H24Cl2N2O2 and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171274106
Molecular FormulaC14H24Cl2N2O2
Molecular Weight323.26 g/mol
Exact Mass322.12
IUPAC Name1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(OC)c([C@H](C)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-11(16-8-6-15-7-9-16)13-10-12(17-2)4-5-14(13)18-3;;/h4-5,10-11,15H,6-9H2,1-3H3;2*1H/t11-;;/m0../s1
InChIKeyHSNFQEFVRKJMSV-IDMXKUIJSA-N
XLogP2.51
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]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-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
CID 3724554
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279670
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171290106
1-[(1S)-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171166365
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171274130
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171274106) is 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride is COc1ccc(OC)c([C@H](C)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is HSNFQEFVRKJMSV-IDMXKUIJSA-N. The full InChI is InChI=1S/C14H22N2O2.2ClH/c1-11(16-8-6-15-7-9-16)13-10-12(17-2)4-5-14(13)18-3;;/h4-5,10-11,15H,6-9H2,1-3H3;2*1H/t11-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 323.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).