3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol

C14H16N2O — CID 14973207

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol
SMILESCN1CC=C(c2c[nH]c3ccc(O)cc23)CC1
InChIInChI=1S/C14H16N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-4,8-9,15,17H,5-7H2,1H3
InChIKeyARDASZJGLLMNAQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.59
Rot. Bonds1

About 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol

3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol (PubChem CID 14973207) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol
PubChem CID14973207
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol
SMILESCN1CC=C(c2c[nH]c3ccc(O)cc23)CC1
InChIInChI=1S/C14H16N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-4,8-9,15,17H,5-7H2,1H3
InChIKeyARDASZJGLLMNAQ-UHFFFAOYSA-N
XLogP2.59
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol (CID 14973207) is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol is CN1CC=C(c2c[nH]c3ccc(O)cc23)CC1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol?
The InChIKey is ARDASZJGLLMNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-4,8-9,15,17H,5-7H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol?
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol has a molecular weight of 228.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol is sourced from PubChem (CID 14973207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).