1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol

C14H21NO3 — CID 117381500

IUPAC1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol
SMILESCOc1c(OC2CCCNC2)cccc1C(C)O
InChIInChI=1S/C14H21NO3/c1-10(16)12-6-3-7-13(14(12)17-2)18-11-5-4-8-15-9-11/h3,6-7,10-11,15-16H,4-5,8-9H2,1-2H3
InChIKeyFUCIZOLTAWZMNS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.88
Rot. Bonds4

About 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol

1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol (PubChem CID 117381500) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol
PubChem CID117381500
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol
SMILESCOc1c(OC2CCCNC2)cccc1C(C)O
InChIInChI=1S/C14H21NO3/c1-10(16)12-6-3-7-13(14(12)17-2)18-11-5-4-8-15-9-11/h3,6-7,10-11,15-16H,4-5,8-9H2,1-2H3
InChIKeyFUCIZOLTAWZMNS-UHFFFAOYSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol?
The IUPAC name of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol (CID 117381500) is 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol.
What is the SMILES notation for 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol?
The canonical SMILES for 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol is COc1c(OC2CCCNC2)cccc1C(C)O.
What is the InChIKey of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol?
The InChIKey is FUCIZOLTAWZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(16)12-6-3-7-13(14(12)17-2)18-11-5-4-8-15-9-11/h3,6-7,10-11,15-16H,4-5,8-9H2,1-2H3.
What are the key properties of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol?
1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol is sourced from PubChem (CID 117381500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).