2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile

C15H21N3 — CID 55159492

IUPAC2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESCCC1(CC)CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C15H21N3/c1-3-15(4-2)6-9-18(10-7-15)14-11-13(12-16)5-8-17-14/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyVBKDUMUUBDZXCS-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.36
Rot. Bonds3

About 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile

2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile (PubChem CID 55159492) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
PubChem CID55159492
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESCCC1(CC)CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C15H21N3/c1-3-15(4-2)6-9-18(10-7-15)14-11-13(12-16)5-8-17-14/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyVBKDUMUUBDZXCS-UHFFFAOYSA-N
XLogP3.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile (CID 55159492) is 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile is CCC1(CC)CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is VBKDUMUUBDZXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-15(4-2)6-9-18(10-7-15)14-11-13(12-16)5-8-17-14/h5,8,11H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile?
2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 55159492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).