3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one

C14H23N3O2 — CID 162673301

IUPAC3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CNC2CCN(C)CC2)n1C
InChIInChI=1S/C14H23N3O2/c1-10-8-13(18)14(19)12(17(10)3)9-15-11-4-6-16(2)7-5-11/h8,11,15,19H,4-7,9H2,1-3H3
InChIKeyRFWSCTVZFVGIAY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.58
Rot. Bonds3

About 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one

3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one (PubChem CID 162673301) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
PubChem CID162673301
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CNC2CCN(C)CC2)n1C
InChIInChI=1S/C14H23N3O2/c1-10-8-13(18)14(19)12(17(10)3)9-15-11-4-6-16(2)7-5-11/h8,11,15,19H,4-7,9H2,1-3H3
InChIKeyRFWSCTVZFVGIAY-UHFFFAOYSA-N
XLogP0.58
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one (CID 162673301) is 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one is Cc1cc(=O)c(O)c(CNC2CCN(C)CC2)n1C.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
The InChIKey is RFWSCTVZFVGIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-8-13(18)14(19)12(17(10)3)9-15-11-4-6-16(2)7-5-11/h8,11,15,19H,4-7,9H2,1-3H3.
What are the key properties of 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one has a molecular weight of 265.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one is sourced from PubChem (CID 162673301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).