1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile

C17H15N3O — CID 58838838

IUPAC1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(N2CCCCC2)c2ccccc2c1O
InChIInChI=1S/C17H15N3O/c18-10-14-15(11-19)17(21)13-7-3-2-6-12(13)16(14)20-8-4-1-5-9-20/h2-3,6-7,21H,1,4-5,8-9H2
InChIKeyJZRQQNPLQRVJEO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.28
Rot. Bonds1

About 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile

1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile (PubChem CID 58838838) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile
PubChem CID58838838
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(N2CCCCC2)c2ccccc2c1O
InChIInChI=1S/C17H15N3O/c18-10-14-15(11-19)17(21)13-7-3-2-6-12(13)16(14)20-8-4-1-5-9-20/h2-3,6-7,21H,1,4-5,8-9H2
InChIKeyJZRQQNPLQRVJEO-UHFFFAOYSA-N
XLogP3.28
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile?
The IUPAC name of 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile (CID 58838838) is 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile?
The canonical SMILES for 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile is N#Cc1c(C#N)c(N2CCCCC2)c2ccccc2c1O.
What is the InChIKey of 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile?
The InChIKey is JZRQQNPLQRVJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-10-14-15(11-19)17(21)13-7-3-2-6-12(13)16(14)20-8-4-1-5-9-20/h2-3,6-7,21H,1,4-5,8-9H2.
What are the key properties of 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile?
1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile has a molecular weight of 277.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-piperidin-1-ylnaphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 58838838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).