(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone

C12H14F2N2O2 — CID 121184561

IUPAC(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C12H14F2N2O2/c1-18-10-9(3-2-6-15-10)11(17)16-7-4-12(13,14)5-8-16/h2-3,6H,4-5,7-8H2,1H3
InChIKeyKQKSBMXJUPKWDA-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.96
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone

(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone (PubChem CID 121184561) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
PubChem CID121184561
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C12H14F2N2O2/c1-18-10-9(3-2-6-15-10)11(17)16-7-4-12(13,14)5-8-16/h2-3,6H,4-5,7-8H2,1H3
InChIKeyKQKSBMXJUPKWDA-UHFFFAOYSA-N
XLogP1.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 63337490
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133754
1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124800786
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39488062

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone (CID 121184561) is (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is KQKSBMXJUPKWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-18-10-9(3-2-6-15-10)11(17)16-7-4-12(13,14)5-8-16/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone?
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 256.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 121184561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).