(1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone

C18H20N2O — CID 142430204

IUPAC(1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O/c21-18(17-10-4-5-11-19-17)16-9-6-12-20(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2
InChIKeyXKHWOQWKHIBRFE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.18
Rot. Bonds4

About (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone

(1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone (PubChem CID 142430204) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone
PubChem CID142430204
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O/c21-18(17-10-4-5-11-19-17)16-9-6-12-20(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2
InChIKeyXKHWOQWKHIBRFE-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone?
The IUPAC name of (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone (CID 142430204) is (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone?
The InChIKey is XKHWOQWKHIBRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(17-10-4-5-11-19-17)16-9-6-12-20(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2.
What are the key properties of (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone?
(1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone has a molecular weight of 280.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 142430204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).