2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride

C11H16ClNO3 — CID 132585284

IUPAC2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride
SMILESCc1cc(=O)c(OC2CCNCC2)co1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-8-6-10(13)11(7-14-8)15-9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3;1H
InChIKeyASWCTNIBUAYTPG-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride

2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride (PubChem CID 132585284) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride
PubChem CID132585284
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride
SMILESCc1cc(=O)c(OC2CCNCC2)co1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-8-6-10(13)11(7-14-8)15-9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3;1H
InChIKeyASWCTNIBUAYTPG-UHFFFAOYSA-N
XLogP1.50
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 49788916
CID 49788916
CID 84666010
CID 84666010
CID 84676150
CID 84676150
CID 84676762
CID 84676762
CID 84687731
CID 84687731
CID 102648353
CID 102648353
CID 102648357
CID 102648357
CID 102652476
CID 102652476
CID 116571203
CID 116571203
CID 132585285
CID 132585285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride?
The IUPAC name of 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride (CID 132585284) is 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride.
What is the SMILES notation for 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride?
The canonical SMILES for 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride is Cc1cc(=O)c(OC2CCNCC2)co1.Cl.
What is the InChIKey of 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride?
The InChIKey is ASWCTNIBUAYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-8-6-10(13)11(7-14-8)15-9-2-4-12-5-3-9;/h6-7,9,12H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride?
2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-yloxypyran-4-one;hydrochloride is sourced from PubChem (CID 132585284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).