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

C13H14N2O — CID 664314

IUPAC3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1C1=NCCCC1
InChIInChI=1S/C13H14N2O/c16-13-12(11-7-3-4-8-14-11)9-5-1-2-6-10(9)15-13/h1-2,5-6,15-16H,3-4,7-8H2
InChIKeyLSNJKBDFWVOLQQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.85
Rot. Bonds1

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

3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol (PubChem CID 664314) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol
PubChem CID664314
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1C1=NCCCC1
InChIInChI=1S/C13H14N2O/c16-13-12(11-7-3-4-8-14-11)9-5-1-2-6-10(9)15-13/h1-2,5-6,15-16H,3-4,7-8H2
InChIKeyLSNJKBDFWVOLQQ-UHFFFAOYSA-N
XLogP2.85
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol?
The IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol (CID 664314) is 3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol.
What is the SMILES notation for 3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol?
The canonical SMILES for 3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1C1=NCCCC1.
What is the InChIKey of 3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol?
The InChIKey is LSNJKBDFWVOLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13-12(11-7-3-4-8-14-11)9-5-1-2-6-10(9)15-13/h1-2,5-6,15-16H,3-4,7-8H2.
What are the key properties of 3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol?
3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol has a molecular weight of 214.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydropyridin-6-yl)-1H-indol-2-ol is sourced from PubChem (CID 664314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).