2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile

C14H19N3O — CID 117096423

IUPAC2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile
SMILESCC(C)N1CCC(Oc2ncccc2C#N)CC1
InChIInChI=1S/C14H19N3O/c1-11(2)17-8-5-13(6-9-17)18-14-12(10-15)4-3-7-16-14/h3-4,7,11,13H,5-6,8-9H2,1-2H3
InChIKeyDOHXPFJALNNYIO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.20
Rot. Bonds3

About 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile

2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile (PubChem CID 117096423) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile
PubChem CID117096423
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile
SMILESCC(C)N1CCC(Oc2ncccc2C#N)CC1
InChIInChI=1S/C14H19N3O/c1-11(2)17-8-5-13(6-9-17)18-14-12(10-15)4-3-7-16-14/h3-4,7,11,13H,5-6,8-9H2,1-2H3
InChIKeyDOHXPFJALNNYIO-UHFFFAOYSA-N
XLogP2.20
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile (CID 117096423) is 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile is CC(C)N1CCC(Oc2ncccc2C#N)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile?
The InChIKey is DOHXPFJALNNYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)17-8-5-13(6-9-17)18-14-12(10-15)4-3-7-16-14/h3-4,7,11,13H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile?
2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 117096423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).