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

C21H22N2O — CID 42945416

IUPAC2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
SMILESOC(CN1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O/c24-21(17-6-2-1-3-7-17)15-23-12-10-16(11-13-23)19-14-22-20-9-5-4-8-18(19)20/h1-10,14,21-22,24H,11-13,15H2
InChIKeyXCINSJOBIPZONT-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.99
Rot. Bonds4

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

2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol (PubChem CID 42945416) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
PubChem CID42945416
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
SMILESOC(CN1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O/c24-21(17-6-2-1-3-7-17)15-23-12-10-16(11-13-23)19-14-22-20-9-5-4-8-18(19)20/h1-10,14,21-22,24H,11-13,15H2
InChIKeyXCINSJOBIPZONT-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol (CID 42945416) is 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol is OC(CN1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol?
The InChIKey is XCINSJOBIPZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c24-21(17-6-2-1-3-7-17)15-23-12-10-16(11-13-23)19-14-22-20-9-5-4-8-18(19)20/h1-10,14,21-22,24H,11-13,15H2.
What are the key properties of 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol?
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol has a molecular weight of 318.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol is sourced from PubChem (CID 42945416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).