2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile

C16H22N4 — CID 61242795

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C16H22N4/c17-13-14-4-7-18-16(12-14)20-10-5-15(6-11-20)19-8-2-1-3-9-19/h4,7,12,15H,1-3,5-6,8-11H2
InChIKeyPWZBGTSGGIGZPP-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile

2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile (PubChem CID 61242795) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
PubChem CID61242795
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C16H22N4/c17-13-14-4-7-18-16(12-14)20-10-5-15(6-11-20)19-8-2-1-3-9-19/h4,7,12,15H,1-3,5-6,8-11H2
InChIKeyPWZBGTSGGIGZPP-UHFFFAOYSA-N
XLogP2.41
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile (CID 61242795) is 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is PWZBGTSGGIGZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-13-14-4-7-18-16(12-14)20-10-5-15(6-11-20)19-8-2-1-3-9-19/h4,7,12,15H,1-3,5-6,8-11H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile?
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 61242795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).