1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile

C15H18N2O — CID 79129399

IUPAC1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(C2(O)CCCNC2)CCc2ccccc21
InChIInChI=1S/C15H18N2O/c16-10-14(15(18)7-3-9-17-11-15)8-6-12-4-1-2-5-13(12)14/h1-2,4-5,17-18H,3,6-9,11H2
InChIKeyOKVBWGRGZBCYQD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.51
Rot. Bonds1

About 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile

1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 79129399) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile
PubChem CID79129399
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(C2(O)CCCNC2)CCc2ccccc21
InChIInChI=1S/C15H18N2O/c16-10-14(15(18)7-3-9-17-11-15)8-6-12-4-1-2-5-13(12)14/h1-2,4-5,17-18H,3,6-9,11H2
InChIKeyOKVBWGRGZBCYQD-UHFFFAOYSA-N
XLogP1.51
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile (CID 79129399) is 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile is N#CC1(C2(O)CCCNC2)CCc2ccccc21.
What is the InChIKey of 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is OKVBWGRGZBCYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-10-14(15(18)7-3-9-17-11-15)8-6-12-4-1-2-5-13(12)14/h1-2,4-5,17-18H,3,6-9,11H2.
What are the key properties of 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile?
1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 79129399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).