6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile

C16H22N4O — CID 69354590

IUPAC6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(OC3CCNCC3)CC2)nc1
InChIInChI=1S/C16H22N4O/c17-11-13-1-2-16(19-12-13)20-9-5-15(6-10-20)21-14-3-7-18-8-4-14/h1-2,12,14-15,18H,3-10H2
InChIKeyQRSUZXGYQZLZBZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.69
Rot. Bonds3

About 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile

6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 69354590) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID69354590
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(OC3CCNCC3)CC2)nc1
InChIInChI=1S/C16H22N4O/c17-11-13-1-2-16(19-12-13)20-9-5-15(6-10-20)21-14-3-7-18-8-4-14/h1-2,12,14-15,18H,3-10H2
InChIKeyQRSUZXGYQZLZBZ-UHFFFAOYSA-N
XLogP1.69
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile (CID 69354590) is 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(OC3CCNCC3)CC2)nc1.
What is the InChIKey of 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is QRSUZXGYQZLZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-11-13-1-2-16(19-12-13)20-9-5-15(6-10-20)21-14-3-7-18-8-4-14/h1-2,12,14-15,18H,3-10H2.
What are the key properties of 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile?
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 69354590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).