2,6-dimethoxy-3-piperidin-1-ylphenol

C13H19NO3 — CID 177031782

IUPAC2,6-dimethoxy-3-piperidin-1-ylphenol
SMILESCOc1ccc(N2CCCCC2)c(OC)c1O
InChIInChI=1S/C13H19NO3/c1-16-11-7-6-10(13(17-2)12(11)15)14-8-4-3-5-9-14/h6-7,15H,3-5,8-9H2,1-2H3
InChIKeyXZXZUPZSDYEVGB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.40
Rot. Bonds3

About 2,6-dimethoxy-3-piperidin-1-ylphenol

2,6-dimethoxy-3-piperidin-1-ylphenol (PubChem CID 177031782) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,6-dimethoxy-3-piperidin-1-ylphenol.

Molecular Properties

Compound Name2,6-dimethoxy-3-piperidin-1-ylphenol
PubChem CID177031782
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2,6-dimethoxy-3-piperidin-1-ylphenol
SMILESCOc1ccc(N2CCCCC2)c(OC)c1O
InChIInChI=1S/C13H19NO3/c1-16-11-7-6-10(13(17-2)12(11)15)14-8-4-3-5-9-14/h6-7,15H,3-5,8-9H2,1-2H3
InChIKeyXZXZUPZSDYEVGB-UHFFFAOYSA-N
XLogP2.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
CID 84800502
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
4-methoxy-3-piperidin-1-ylpyridine
CID 152705375
3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597524
3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride
CID 142147493
1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine
CID 21292688
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-piperidin-1-ylphenol?
The IUPAC name of 2,6-dimethoxy-3-piperidin-1-ylphenol (CID 177031782) is 2,6-dimethoxy-3-piperidin-1-ylphenol.
What is the SMILES notation for 2,6-dimethoxy-3-piperidin-1-ylphenol?
The canonical SMILES for 2,6-dimethoxy-3-piperidin-1-ylphenol is COc1ccc(N2CCCCC2)c(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-3-piperidin-1-ylphenol?
The InChIKey is XZXZUPZSDYEVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-11-7-6-10(13(17-2)12(11)15)14-8-4-3-5-9-14/h6-7,15H,3-5,8-9H2,1-2H3.
What are the key properties of 2,6-dimethoxy-3-piperidin-1-ylphenol?
2,6-dimethoxy-3-piperidin-1-ylphenol has a molecular weight of 237.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-piperidin-1-ylphenol is sourced from PubChem (CID 177031782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).