5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride

C12H17ClF2N2O — CID 164734888

IUPAC5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride
SMILESCCn1cc(C2CNCCC2(F)F)ccc1=O.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-2-16-8-9(3-4-11(16)17)10-7-15-6-5-12(10,13)14;/h3-4,8,10,15H,2,5-7H2,1H3;1H
InChIKeyNMWYZCXZWKFYFQ-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.00
Rot. Bonds2

About 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride

5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride (PubChem CID 164734888) has the molecular formula C12H17ClF2N2O and a molecular weight of 278.73 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride
PubChem CID164734888
Molecular FormulaC12H17ClF2N2O
Molecular Weight278.73 g/mol
Exact Mass278.10
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride
SMILESCCn1cc(C2CNCCC2(F)F)ccc1=O.Cl
InChIInChI=1S/C12H16F2N2O.ClH/c1-2-16-8-9(3-4-11(16)17)10-7-15-6-5-12(10,13)14;/h3-4,8,10,15H,2,5-7H2,1H3;1H
InChIKeyNMWYZCXZWKFYFQ-UHFFFAOYSA-N
XLogP2.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride (CID 164734888) is 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride is CCn1cc(C2CNCCC2(F)F)ccc1=O.Cl.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride?
The InChIKey is NMWYZCXZWKFYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O.ClH/c1-2-16-8-9(3-4-11(16)17)10-7-15-6-5-12(10,13)14;/h3-4,8,10,15H,2,5-7H2,1H3;1H.
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride?
5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride has a molecular weight of 278.73 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride is sourced from PubChem (CID 164734888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).