3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol

C13H18ClNO2 — CID 117392624

IUPAC3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
SMILESCOc1c(Cl)cc(C)c(C2CCCNC2)c1O
InChIInChI=1S/C13H18ClNO2/c1-8-6-10(14)13(17-2)12(16)11(8)9-4-3-5-15-7-9/h6,9,15-16H,3-5,7H2,1-2H3
InChIKeyBZEWYXTXXNXPAP-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.83
Rot. Bonds2

About 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol

3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol (PubChem CID 117392624) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
PubChem CID117392624
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
SMILESCOc1c(Cl)cc(C)c(C2CCCNC2)c1O
InChIInChI=1S/C13H18ClNO2/c1-8-6-10(14)13(17-2)12(16)11(8)9-4-3-5-15-7-9/h6,9,15-16H,3-5,7H2,1-2H3
InChIKeyBZEWYXTXXNXPAP-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
3-(2-chloro-4,6-dimethylphenyl)piperidine
CID 84789545
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116459
3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
CID 117456300
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol?
The IUPAC name of 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol (CID 117392624) is 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol.
What is the SMILES notation for 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol?
The canonical SMILES for 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol is COc1c(Cl)cc(C)c(C2CCCNC2)c1O.
What is the InChIKey of 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol?
The InChIKey is BZEWYXTXXNXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-6-10(14)13(17-2)12(16)11(8)9-4-3-5-15-7-9/h6,9,15-16H,3-5,7H2,1-2H3.
What are the key properties of 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol?
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol has a molecular weight of 255.74 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol is sourced from PubChem (CID 117392624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).