(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone

C12H15FN2O — CID 115646202

IUPAC(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C12H15FN2O/c1-9-3-2-6-15(8-9)12(16)10-4-5-14-7-11(10)13/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyJQBSLLYAKFNRFU-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.09
Rot. Bonds1

About (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone

(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 115646202) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID115646202
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C12H15FN2O/c1-9-3-2-6-15(8-9)12(16)10-4-5-14-7-11(10)13/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyJQBSLLYAKFNRFU-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

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Related Compounds

[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97215987
(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 79994306
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
CID 90650048
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115646200

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone (CID 115646202) is (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccncc2F)C1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JQBSLLYAKFNRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-3-2-6-15(8-9)12(16)10-4-5-14-7-11(10)13/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
(3-fluoro-4-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 (3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115646202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).