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

C21H22N2O — CID 44533084

IUPAC3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2c1
InChIInChI=1S/C21H22N2O/c24-18-6-7-21-19(14-18)20(15-22-21)17-9-12-23(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,9,14-15,22,24H,8,10-13H2
InChIKeyCUDOAVRKFNOPDF-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.21
Rot. Bonds4

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

3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol (PubChem CID 44533084) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
PubChem CID44533084
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2c1
InChIInChI=1S/C21H22N2O/c24-18-6-7-21-19(14-18)20(15-22-21)17-9-12-23(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,9,14-15,22,24H,8,10-13H2
InChIKeyCUDOAVRKFNOPDF-UHFFFAOYSA-N
XLogP4.21
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
The IUPAC name of 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol (CID 44533084) is 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol.
What is the SMILES notation for 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
The canonical SMILES for 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol is Oc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2c1.
What is the InChIKey of 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
The InChIKey is CUDOAVRKFNOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c24-18-6-7-21-19(14-18)20(15-22-21)17-9-12-23(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,9,14-15,22,24H,8,10-13H2.
What are the key properties of 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol has a molecular weight of 318.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol is sourced from PubChem (CID 44533084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).