(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

C14H18F2N2O — CID 114498326

IUPAC(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2c(F)cccc2F)CC1C
InChIInChI=1S/C14H18F2N2O/c1-9-8-18(7-6-12(9)17-2)14(19)13-10(15)4-3-5-11(13)16/h3-5,9,12,17H,6-8H2,1-2H3
InChIKeyCMKGBQMSUQNNHW-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.03
Rot. Bonds2

About (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 114498326) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID114498326
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2c(F)cccc2F)CC1C
InChIInChI=1S/C14H18F2N2O/c1-9-8-18(7-6-12(9)17-2)14(19)13-10(15)4-3-5-11(13)16/h3-5,9,12,17H,6-8H2,1-2H3
InChIKeyCMKGBQMSUQNNHW-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506517
[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 114498294
[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 114498148
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 115737432
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 898638
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone;hydrochloride
CID 119592569
[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169
(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498303
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 114498326) is (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2c(F)cccc2F)CC1C.
What is the InChIKey of (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is CMKGBQMSUQNNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-8-18(7-6-12(9)17-2)14(19)13-10(15)4-3-5-11(13)16/h3-5,9,12,17H,6-8H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 268.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114498326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).