1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine

C19H30N2O2 — CID 171274762

IUPAC1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@H](C2CCCCC2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C19H30N2O2/c1-22-16-8-9-17(18(14-16)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/t19-/m0/s1
InChIKeyOWFDCDVIRUWYKS-IBGZPJMESA-N
MW318.46 g/mol
LogP3.23
Rot. Bonds5

About 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine

1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 171274762) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
PubChem CID171274762
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@H](C2CCCCC2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C19H30N2O2/c1-22-16-8-9-17(18(14-16)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/t19-/m0/s1
InChIKeyOWFDCDVIRUWYKS-IBGZPJMESA-N
XLogP3.23
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(S)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171274767
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
CID 171274434
1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171170170
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129
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-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171176216
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587
1-[(S)-cyclohexyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171167987

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine (CID 171274762) is 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine is COc1ccc([C@H](C2CCCCC2)N2CCNCC2)c(OC)c1.
What is the InChIKey of 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is OWFDCDVIRUWYKS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N2O2/c1-22-16-8-9-17(18(14-16)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/t19-/m0/s1.
What are the key properties of 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine?
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 318.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171274762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).