(3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone

C13H18N2O — CID 2931540

IUPAC(3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
SMILESCC1CC(C)CN(C(=O)c2ccncc2)C1
InChIInChI=1S/C13H18N2O/c1-10-7-11(2)9-15(8-10)13(16)12-3-5-14-6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyCDGRLWYOLPOJIH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.20
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone

(3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone (PubChem CID 2931540) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
PubChem CID2931540
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
SMILESCC1CC(C)CN(C(=O)c2ccncc2)C1
InChIInChI=1S/C13H18N2O/c1-10-7-11(2)9-15(8-10)13(16)12-3-5-14-6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyCDGRLWYOLPOJIH-UHFFFAOYSA-N
XLogP2.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone (CID 2931540) is (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone is CC1CC(C)CN(C(=O)c2ccncc2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone?
The InChIKey is CDGRLWYOLPOJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-7-11(2)9-15(8-10)13(16)12-3-5-14-6-4-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone?
(3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone has a molecular weight of 218.30 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 2931540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).