2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine

C19H24N4 — CID 67421842

IUPAC2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine
SMILESc1ccc(C2CCCC(c3ccccn3)N2CC2CNC2)nc1
InChIInChI=1S/C19H24N4/c1-3-10-21-16(6-1)18-8-5-9-19(17-7-2-4-11-22-17)23(18)14-15-12-20-13-15/h1-4,6-7,10-11,15,18-20H,5,8-9,12-14H2
InChIKeyVATCSOOCKCZEDQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.96
Rot. Bonds4

About 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine

2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine (PubChem CID 67421842) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine
PubChem CID67421842
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine
SMILESc1ccc(C2CCCC(c3ccccn3)N2CC2CNC2)nc1
InChIInChI=1S/C19H24N4/c1-3-10-21-16(6-1)18-8-5-9-19(17-7-2-4-11-22-17)23(18)14-15-12-20-13-15/h1-4,6-7,10-11,15,18-20H,5,8-9,12-14H2
InChIKeyVATCSOOCKCZEDQ-UHFFFAOYSA-N
XLogP2.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine?
The IUPAC name of 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine (CID 67421842) is 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine?
The canonical SMILES for 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine is c1ccc(C2CCCC(c3ccccn3)N2CC2CNC2)nc1.
What is the InChIKey of 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine?
The InChIKey is VATCSOOCKCZEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-3-10-21-16(6-1)18-8-5-9-19(17-7-2-4-11-22-17)23(18)14-15-12-20-13-15/h1-4,6-7,10-11,15,18-20H,5,8-9,12-14H2.
What are the key properties of 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine?
2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine has a molecular weight of 308.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine is sourced from PubChem (CID 67421842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).