3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol

C13H18ClNO3 — CID 117432185

IUPAC3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
SMILESCOc1cc(O)c(C2CCCCN2)c(Cl)c1OC
InChIInChI=1S/C13H18ClNO3/c1-17-10-7-9(16)11(12(14)13(10)18-2)8-5-3-4-6-15-8/h7-8,15-16H,3-6H2,1-2H3
InChIKeyYPZDVACIQMOGMH-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.88
Rot. Bonds3

About 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol

3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol (PubChem CID 117432185) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
PubChem CID117432185
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
SMILESCOc1cc(O)c(C2CCCCN2)c(Cl)c1OC
InChIInChI=1S/C13H18ClNO3/c1-17-10-7-9(16)11(12(14)13(10)18-2)8-5-3-4-6-15-8/h7-8,15-16H,3-6H2,1-2H3
InChIKeyYPZDVACIQMOGMH-UHFFFAOYSA-N
XLogP2.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.88
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-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117403489
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131252293
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
5-bromo-2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486236
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
CID 117403491
5,6-dimethoxy-4-piperidin-2-ylpyridin-3-ol
CID 84700693
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol?
The IUPAC name of 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol (CID 117432185) is 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol?
The canonical SMILES for 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol is COc1cc(O)c(C2CCCCN2)c(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol?
The InChIKey is YPZDVACIQMOGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-17-10-7-9(16)11(12(14)13(10)18-2)8-5-3-4-6-15-8/h7-8,15-16H,3-6H2,1-2H3.
What are the key properties of 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol?
3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol has a molecular weight of 271.74 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol is sourced from PubChem (CID 117432185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).