4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile

C17H17N3 — CID 118401000

IUPAC4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1cnccc1-c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H17N3/c18-12-15-13-19-9-8-17(15)14-4-6-16(7-5-14)20-10-2-1-3-11-20/h4-9,13H,1-3,10-11H2
InChIKeyRLJWWOVHHGUCNJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.61
Rot. Bonds2

About 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile

4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile (PubChem CID 118401000) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile
PubChem CID118401000
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1cnccc1-c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H17N3/c18-12-15-13-19-9-8-17(15)14-4-6-16(7-5-14)20-10-2-1-3-11-20/h4-9,13H,1-3,10-11H2
InChIKeyRLJWWOVHHGUCNJ-UHFFFAOYSA-N
XLogP3.61
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile (CID 118401000) is 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile is N#Cc1cnccc1-c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is RLJWWOVHHGUCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-12-15-13-19-9-8-17(15)14-4-6-16(7-5-14)20-10-2-1-3-11-20/h4-9,13H,1-3,10-11H2.
What are the key properties of 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile?
4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118401000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).