5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol

C15H23NO3 — CID 102969245

IUPAC5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
SMILESCOc1ccc(C(C)N2CCCC(OC)C2)c(O)c1
InChIInChI=1S/C15H23NO3/c1-11(16-8-4-5-13(10-16)19-3)14-7-6-12(18-2)9-15(14)17/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3
InChIKeyXDRGEBCSJYUFNX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds4

About 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol

5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol (PubChem CID 102969245) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
PubChem CID102969245
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
SMILESCOc1ccc(C(C)N2CCCC(OC)C2)c(O)c1
InChIInChI=1S/C15H23NO3/c1-11(16-8-4-5-13(10-16)19-3)14-7-6-12(18-2)9-15(14)17/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3
InChIKeyXDRGEBCSJYUFNX-UHFFFAOYSA-N
XLogP2.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82956837
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82979886
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82982908
5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978518
5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol (CID 102969245) is 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol is COc1ccc(C(C)N2CCCC(OC)C2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol?
The InChIKey is XDRGEBCSJYUFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16-8-4-5-13(10-16)19-3)14-7-6-12(18-2)9-15(14)17/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol?
5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol has a molecular weight of 265.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol is sourced from PubChem (CID 102969245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).