(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone

C16H17FN2O — CID 110464455

IUPAC(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc3cc(F)ccc3n2)C1
InChIInChI=1S/C16H17FN2O/c1-11-3-2-8-19(10-11)16(20)15-6-4-12-9-13(17)5-7-14(12)18-15/h4-7,9,11H,2-3,8,10H2,1H3
InChIKeyYYWHBYPTOKEGOP-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.25
Rot. Bonds1

About (6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone

(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 110464455) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is (6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID110464455
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc3cc(F)ccc3n2)C1
InChIInChI=1S/C16H17FN2O/c1-11-3-2-8-19(10-11)16(20)15-6-4-12-9-13(17)5-7-14(12)18-15/h4-7,9,11H,2-3,8,10H2,1H3
InChIKeyYYWHBYPTOKEGOP-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

(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452
(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110489762
(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485391
1,4-diazepan-1-yl-(6-fluoroquinolin-2-yl)methanone
CID 110464458
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110487263
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60876018
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218091

Frequently Asked Questions

What is the IUPAC name of (6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone (CID 110464455) is (6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc3cc(F)ccc3n2)C1.
What is the InChIKey of (6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is YYWHBYPTOKEGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-3-2-8-19(10-11)16(20)15-6-4-12-9-13(17)5-7-14(12)18-15/h4-7,9,11H,2-3,8,10H2,1H3.
What are the key properties of (6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
(6-fluoroquinolin-2-yl)-(3-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)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110464455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).