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

C19H32Cl2N2O2 — CID 171274120

IUPAC1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc(OC)c([C@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C19H30N2O2.2ClH/c1-22-16-8-9-18(23-2)17(14-16)19(15-6-4-3-5-7-15)21-12-10-20-11-13-21;;/h8-9,14-15,19-20H,3-7,10-13H2,1-2H3;2*1H/t19-;;/m0../s1
InChIKeyXGQMVXBRJZABNB-TXEPZDRESA-N
MW391.38 g/mol
LogP4.07
Rot. Bonds5

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

1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171274120) has the molecular formula C19H32Cl2N2O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171274120
Molecular FormulaC19H32Cl2N2O2
Molecular Weight391.38 g/mol
Exact Mass390.18
IUPAC Name1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc(OC)c([C@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C19H30N2O2.2ClH/c1-22-16-8-9-18(23-2)17(14-16)19(15-6-4-3-5-7-15)21-12-10-20-11-13-21;;/h8-9,14-15,19-20H,3-7,10-13H2,1-2H3;2*1H/t19-;;/m0../s1
InChIKeyXGQMVXBRJZABNB-TXEPZDRESA-N
XLogP4.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]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-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171171221
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
CID 171275901
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171283371
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
1-[(S)-(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171275113
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
CID 171274434
1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171296863
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171273819

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride (CID 171274120) is 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride is COc1ccc(OC)c([C@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is XGQMVXBRJZABNB-TXEPZDRESA-N. The full InChI is InChI=1S/C19H30N2O2.2ClH/c1-22-16-8-9-18(23-2)17(14-16)19(15-6-4-3-5-7-15)21-12-10-20-11-13-21;;/h8-9,14-15,19-20H,3-7,10-13H2,1-2H3;2*1H/t19-;;/m0../s1.
What are the key properties of 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 391.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).