3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol

C13H14N2O — CID 15646678

IUPAC3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2
InChIKeyYMCFWPXQTPNUBN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.25
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol (PubChem CID 15646678) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol
PubChem CID15646678
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2
InChIKeyYMCFWPXQTPNUBN-UHFFFAOYSA-N
XLogP2.25
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Bufotenine
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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol (CID 15646678) is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol is Oc1ccc2[nH]cc(C3=CCNCC3)c2c1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol?
The InChIKey is YMCFWPXQTPNUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol?
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol has a molecular weight of 214.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol is sourced from PubChem (CID 15646678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).