(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone

C12H15FN2O — CID 107362731

IUPAC(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccnc1F
InChIInChI=1S/C12H15FN2O/c1-9-5-2-3-8-15(9)12(16)10-6-4-7-14-11(10)13/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyDAVMSGHYULKUOV-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.24
Rot. Bonds1

About (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone

(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 107362731) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID107362731
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccnc1F
InChIInChI=1S/C12H15FN2O/c1-9-5-2-3-8-15(9)12(16)10-6-4-7-14-11(10)13/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyDAVMSGHYULKUOV-UHFFFAOYSA-N
XLogP2.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 84577108
1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 84574657
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylazepan-1-yl)methanone
CID 79883942
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone (CID 107362731) is (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cccnc1F.
What is the InChIKey of (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is DAVMSGHYULKUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-5-2-3-8-15(9)12(16)10-6-4-7-14-11(10)13/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 222.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107362731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).