(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone

C15H23N3O2 — CID 81109407

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCC(C)(O)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-3-9-16-13-6-4-5-12(17-13)14(19)18-10-7-15(2,20)8-11-18/h4-6,20H,3,7-11H2,1-2H3,(H,16,17)
InChIKeyYFRJSSSBTSTJEU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.89
Rot. Bonds4

About (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone

(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone (PubChem CID 81109407) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
PubChem CID81109407
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCC(C)(O)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-3-9-16-13-6-4-5-12(17-13)14(19)18-10-7-15(2,20)8-11-18/h4-6,20H,3,7-11H2,1-2H3,(H,16,17)
InChIKeyYFRJSSSBTSTJEU-UHFFFAOYSA-N
XLogP1.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone (CID 81109407) is (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone is CCCNc1cccc(C(=O)N2CCC(C)(O)CC2)n1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The InChIKey is YFRJSSSBTSTJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-9-16-13-6-4-5-12(17-13)14(19)18-10-7-15(2,20)8-11-18/h4-6,20H,3,7-11H2,1-2H3,(H,16,17).
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 81109407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).