piperidine;6-propan-2-yl-1H-pyridin-2-one

C13H22N2O — CID 177205201

IUPACpiperidine;6-propan-2-yl-1H-pyridin-2-one
SMILESC1CCNCC1.CC(C)c1cccc(=O)[nH]1
InChIInChI=1S/C8H11NO.C5H11N/c1-6(2)7-4-3-5-8(10)9-7;1-2-4-6-5-3-1/h3-6H,1-2H3,(H,9,10);6H,1-5H2
InChIKeyMIPCUPJSAKMRPA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.26
Rot. Bonds1

About piperidine;6-propan-2-yl-1H-pyridin-2-one

piperidine;6-propan-2-yl-1H-pyridin-2-one (PubChem CID 177205201) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is piperidine;6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Namepiperidine;6-propan-2-yl-1H-pyridin-2-one
PubChem CID177205201
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Namepiperidine;6-propan-2-yl-1H-pyridin-2-one
SMILESC1CCNCC1.CC(C)c1cccc(=O)[nH]1
InChIInChI=1S/C8H11NO.C5H11N/c1-6(2)7-4-3-5-8(10)9-7;1-2-4-6-5-3-1/h3-6H,1-2H3,(H,9,10);6H,1-5H2
InChIKeyMIPCUPJSAKMRPA-UHFFFAOYSA-N
XLogP2.26
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidine;6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of piperidine;6-propan-2-yl-1H-pyridin-2-one (CID 177205201) is piperidine;6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for piperidine;6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for piperidine;6-propan-2-yl-1H-pyridin-2-one is C1CCNCC1.CC(C)c1cccc(=O)[nH]1.
What is the InChIKey of piperidine;6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is MIPCUPJSAKMRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C5H11N/c1-6(2)7-4-3-5-8(10)9-7;1-2-4-6-5-3-1/h3-6H,1-2H3,(H,9,10);6H,1-5H2.
What are the key properties of piperidine;6-propan-2-yl-1H-pyridin-2-one?
piperidine;6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 177205201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).