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

C12H15FN2O — CID 107358404

IUPAC(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cccnc2F)C1
InChIInChI=1S/C12H15FN2O/c1-9-4-3-7-15(8-9)12(16)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyFKHXGBXQUIRKNB-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.09
Rot. Bonds1

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

(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 107358404) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID107358404
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cccnc2F)C1
InChIInChI=1S/C12H15FN2O/c1-9-4-3-7-15(8-9)12(16)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyFKHXGBXQUIRKNB-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
(2-fluoro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 107363058
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone (CID 107358404) is (2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cccnc2F)C1.
What is the InChIKey of (2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FKHXGBXQUIRKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-4-3-7-15(8-9)12(16)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of (2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 222.26 g/mol, XLogP of 2.09, 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)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107358404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).