1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine

C19H30N2O — CID 171295207

IUPAC1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1C
InChIInChI=1S/C19H30N2O/c1-15-14-17(8-9-18(15)22-2)19(16-6-4-3-5-7-16)21-12-10-20-11-13-21/h8-9,14,16,19-20H,3-7,10-13H2,1-2H3/t19-/m1/s1
InChIKeyRNQYNDIEIMSECG-LJQANCHMSA-N
MW302.46 g/mol
LogP3.53
Rot. Bonds4

About 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine

1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine (PubChem CID 171295207) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
PubChem CID171295207
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1C
InChIInChI=1S/C19H30N2O/c1-15-14-17(8-9-18(15)22-2)19(16-6-4-3-5-7-16)21-12-10-20-11-13-21/h8-9,14,16,19-20H,3-7,10-13H2,1-2H3/t19-/m1/s1
InChIKeyRNQYNDIEIMSECG-LJQANCHMSA-N
XLogP3.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
[4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-2-methoxyphenyl] acetate;dihydrochloride
CID 171280944
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900
1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 95468433
4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol
CID 171290267
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine (CID 171295207) is 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine is COc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1C.
What is the InChIKey of 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine?
The InChIKey is RNQYNDIEIMSECG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15-14-17(8-9-18(15)22-2)19(16-6-4-3-5-7-16)21-12-10-20-11-13-21/h8-9,14,16,19-20H,3-7,10-13H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine?
1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine has a molecular weight of 302.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 171295207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).