2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol

C18H28N2O2 — CID 171274434

IUPAC2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
SMILESCOc1ccc([C@H](C2CCCCC2)N2CCNCC2)c(O)c1
InChIInChI=1S/C18H28N2O2/c1-22-15-7-8-16(17(21)13-15)18(14-5-3-2-4-6-14)20-11-9-19-10-12-20/h7-8,13-14,18-19,21H,2-6,9-12H2,1H3/t18-/m0/s1
InChIKeyQVWCUFVUBUJXER-SFHVURJKSA-N
MW304.43 g/mol
LogP2.93
Rot. Bonds4

About 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol

2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol (PubChem CID 171274434) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
PubChem CID171274434
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
SMILESCOc1ccc([C@H](C2CCCCC2)N2CCNCC2)c(O)c1
InChIInChI=1S/C18H28N2O2/c1-22-15-7-8-16(17(21)13-15)18(14-5-3-2-4-6-14)20-11-9-19-10-12-20/h7-8,13-14,18-19,21H,2-6,9-12H2,1H3/t18-/m0/s1
InChIKeyQVWCUFVUBUJXER-SFHVURJKSA-N
XLogP2.93
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
CID 171275901
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171275894
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]-5-phenylmethoxyphenol;dihydrochloride
CID 171283049
2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-5-methylphenol
CID 171281745
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
4-methoxy-2-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171275905

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol (CID 171274434) is 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol is COc1ccc([C@H](C2CCCCC2)N2CCNCC2)c(O)c1.
What is the InChIKey of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol?
The InChIKey is QVWCUFVUBUJXER-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-22-15-7-8-16(17(21)13-15)18(14-5-3-2-4-6-14)20-11-9-19-10-12-20/h7-8,13-14,18-19,21H,2-6,9-12H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol?
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol has a molecular weight of 304.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol is sourced from PubChem (CID 171274434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).