4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol

C11H13NO2 — CID 139724595

IUPAC4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol
SMILESOc1ccc(C2=CCNCC2)c(O)c1
InChIInChI=1S/C11H13NO2/c13-9-1-2-10(11(14)7-9)8-3-5-12-6-4-8/h1-3,7,12-14H,4-6H2
InChIKeyJIEZHGTZAWIQOD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.47
Rot. Bonds1

About 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol

4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol (PubChem CID 139724595) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol
PubChem CID139724595
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol
SMILESOc1ccc(C2=CCNCC2)c(O)c1
InChIInChI=1S/C11H13NO2/c13-9-1-2-10(11(14)7-9)8-3-5-12-6-4-8/h1-3,7,12-14H,4-6H2
InChIKeyJIEZHGTZAWIQOD-UHFFFAOYSA-N
XLogP1.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol?
The IUPAC name of 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol (CID 139724595) is 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol?
The canonical SMILES for 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol is Oc1ccc(C2=CCNCC2)c(O)c1.
What is the InChIKey of 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol?
The InChIKey is JIEZHGTZAWIQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-9-1-2-10(11(14)7-9)8-3-5-12-6-4-8/h1-3,7,12-14H,4-6H2.
What are the key properties of 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol?
4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol has a molecular weight of 191.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol is sourced from PubChem (CID 139724595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).