2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile

C16H17N3O2 — CID 650445

IUPAC2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2nc(N3CCC(O)CC3)c(C#N)cc2c1
InChIInChI=1S/C16H17N3O2/c1-21-14-2-3-15-11(9-14)8-12(10-17)16(18-15)19-6-4-13(20)5-7-19/h2-3,8-9,13,20H,4-7H2,1H3
InChIKeyPPOBCCQZIPXZLX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.08
Rot. Bonds2

About 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile

2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile (PubChem CID 650445) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile
PubChem CID650445
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2nc(N3CCC(O)CC3)c(C#N)cc2c1
InChIInChI=1S/C16H17N3O2/c1-21-14-2-3-15-11(9-14)8-12(10-17)16(18-15)19-6-4-13(20)5-7-19/h2-3,8-9,13,20H,4-7H2,1H3
InChIKeyPPOBCCQZIPXZLX-UHFFFAOYSA-N
XLogP2.08
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile (CID 650445) is 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile is COc1ccc2nc(N3CCC(O)CC3)c(C#N)cc2c1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile?
The InChIKey is PPOBCCQZIPXZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-14-2-3-15-11(9-14)8-12(10-17)16(18-15)19-6-4-13(20)5-7-19/h2-3,8-9,13,20H,4-7H2,1H3.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile?
2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 650445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).