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

C19H32Cl2N2O2 — CID 171273430

IUPAC1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C19H30N2O2.2ClH/c1-22-17-9-8-16(14-18(17)23-2)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
InChIKeyLIPBTKBVUIJNKM-TXEPZDRESA-N
MW391.38 g/mol
LogP4.07
Rot. Bonds5

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

1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171273430) has the molecular formula C19H32Cl2N2O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171273430
Molecular FormulaC19H32Cl2N2O2
Molecular Weight391.38 g/mol
Exact Mass390.18
IUPAC Name1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C19H30N2O2.2ClH/c1-22-17-9-8-16(14-18(17)23-2)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
InChIKeyLIPBTKBVUIJNKM-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

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Related Compounds

1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647
[4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-2-methoxyphenyl] acetate;dihydrochloride
CID 171280944
1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
CID 171295207
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
[4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenyl] acetate
CID 171280937
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride (CID 171273430) is 1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride is COc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1OC.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is LIPBTKBVUIJNKM-TXEPZDRESA-N. The full InChI is InChI=1S/C19H30N2O2.2ClH/c1-22-17-9-8-16(14-18(17)23-2)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-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclohexyl-(3,4-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-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).