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

C21H22N2O — CID 70483927

IUPAC4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol
SMILESOc1cc(CCN2CC=C(c3ccccc3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C21H22N2O/c24-19-14-18(20-6-10-22-21(20)15-19)9-13-23-11-7-17(8-12-23)16-4-2-1-3-5-16/h1-7,10,14-15,22,24H,8-9,11-13H2
InChIKeyJIWDOWRLHHPWLY-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.21
Rot. Bonds4

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

4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol (PubChem CID 70483927) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol.

Molecular Properties

Compound Name4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol
PubChem CID70483927
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol
SMILESOc1cc(CCN2CC=C(c3ccccc3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C21H22N2O/c24-19-14-18(20-6-10-22-21(20)15-19)9-13-23-11-7-17(8-12-23)16-4-2-1-3-5-16/h1-7,10,14-15,22,24H,8-9,11-13H2
InChIKeyJIWDOWRLHHPWLY-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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Related Compounds

6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483148
5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483108
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483326
1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15942778
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 14839517
3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride
CID 10386307
4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine
CID 142809796
3-[2-[4-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethylsulfanylmethyl]-1H-indole-5-carboxamide
CID 57168776

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol?
The IUPAC name of 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol (CID 70483927) is 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol.
What is the SMILES notation for 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol?
The canonical SMILES for 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol is Oc1cc(CCN2CC=C(c3ccccc3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol?
The InChIKey is JIWDOWRLHHPWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c24-19-14-18(20-6-10-22-21(20)15-19)9-13-23-11-7-17(8-12-23)16-4-2-1-3-5-16/h1-7,10,14-15,22,24H,8-9,11-13H2.
What are the key properties of 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol?
4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-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 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-6-ol is sourced from PubChem (CID 70483927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).