[4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone

C16H23F2N3O2 — CID 86783524

IUPAC[4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCCCN1C(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C16H23F2N3O2/c1-20(2)10-12-5-3-4-8-21(12)16(22)14-9-13(6-7-19-14)23-11-15(17)18/h6-7,9,12,15H,3-5,8,10-11H2,1-2H3
InChIKeyNWTAVERYGNSYPG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.28
Rot. Bonds6

About [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone

[4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 86783524) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID86783524
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name[4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCCCN1C(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C16H23F2N3O2/c1-20(2)10-12-5-3-4-8-21(12)16(22)14-9-13(6-7-19-14)23-11-15(17)18/h6-7,9,12,15H,3-5,8,10-11H2,1-2H3
InChIKeyNWTAVERYGNSYPG-UHFFFAOYSA-N
XLogP2.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109207330
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 95591150
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119650832
(2-chlorofuran-3-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 106686764
[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 63723390
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 92606138
2-[methyl-[1-(4-phenoxypyridine-2-carbonyl)azepan-4-yl]amino]acetic acid
CID 129008299
6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
CID 63747788
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109217972
2-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 21061889
[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62175903

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 86783524) is [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone is CN(C)CC1CCCCN1C(=O)c1cc(OCC(F)F)ccn1.
What is the InChIKey of [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is NWTAVERYGNSYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-20(2)10-12-5-3-4-8-21(12)16(22)14-9-13(6-7-19-14)23-11-15(17)18/h6-7,9,12,15H,3-5,8,10-11H2,1-2H3.
What are the key properties of [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone?
[4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 86783524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).