(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone

C16H17FN2O — CID 110464452

IUPAC(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C16H17FN2O/c1-11-6-8-19(9-7-11)16(20)15-4-2-12-10-13(17)3-5-14(12)18-15/h2-5,10-11H,6-9H2,1H3
InChIKeyPTZJJUPXNKIRJD-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.25
Rot. Bonds1

About (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone

(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110464452) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110464452
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C16H17FN2O/c1-11-6-8-19(9-7-11)16(20)15-4-2-12-10-13(17)3-5-14(12)18-15/h2-5,10-11H,6-9H2,1H3
InChIKeyPTZJJUPXNKIRJD-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485391
(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110464455
1,4-diazepan-1-yl-(6-fluoroquinolin-2-yl)methanone
CID 110464458
(6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110488584
[6-(2,4-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211385
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53020925
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
(4-methylpiperidin-1-yl)-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
CID 67012303
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-inden-1-yl]acetic acid
CID 130440080

Frequently Asked Questions

What is the IUPAC name of (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 110464452) is (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc3cc(F)ccc3n2)CC1.
What is the InChIKey of (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PTZJJUPXNKIRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-6-8-19(9-7-11)16(20)15-4-2-12-10-13(17)3-5-14(12)18-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone?
(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 272.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110464452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).