1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile

C20H21N3O — CID 136540576

IUPAC1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccn2)CCN(C2Cc3ccccc3C2O)CC1
InChIInChI=1S/C20H21N3O/c21-14-20(18-7-3-4-10-22-18)8-11-23(12-9-20)17-13-15-5-1-2-6-16(15)19(17)24/h1-7,10,17,19,24H,8-9,11-13H2
InChIKeyLEZANFUNORVKOG-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.60
Rot. Bonds2

About 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile

1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile (PubChem CID 136540576) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile
PubChem CID136540576
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccn2)CCN(C2Cc3ccccc3C2O)CC1
InChIInChI=1S/C20H21N3O/c21-14-20(18-7-3-4-10-22-18)8-11-23(12-9-20)17-13-15-5-1-2-6-16(15)19(17)24/h1-7,10,17,19,24H,8-9,11-13H2
InChIKeyLEZANFUNORVKOG-UHFFFAOYSA-N
XLogP2.60
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile?
The IUPAC name of 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile (CID 136540576) is 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile is N#CC1(c2ccccn2)CCN(C2Cc3ccccc3C2O)CC1.
What is the InChIKey of 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile?
The InChIKey is LEZANFUNORVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-14-20(18-7-3-4-10-22-18)8-11-23(12-9-20)17-13-15-5-1-2-6-16(15)19(17)24/h1-7,10,17,19,24H,8-9,11-13H2.
What are the key properties of 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile?
1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-4-pyridin-2-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 136540576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).