(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone

C13H16FIN2O — CID 119494037

IUPAC(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2c(F)cccc2I)C1
InChIInChI=1S/C13H16FIN2O/c1-16-9-4-3-7-17(8-9)13(18)12-10(14)5-2-6-11(12)15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyDEZKTRDGIUOSJB-UHFFFAOYSA-N
MW362.19 g/mol
LogP2.25
Rot. Bonds2

About (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone

(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119494037) has the molecular formula C13H16FIN2O and a molecular weight of 362.19 g/mol. Its IUPAC name is (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119494037
Molecular FormulaC13H16FIN2O
Molecular Weight362.19 g/mol
Exact Mass362.03
IUPAC Name(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2c(F)cccc2I)C1
InChIInChI=1S/C13H16FIN2O/c1-16-9-4-3-7-17(8-9)13(18)12-10(14)5-2-6-11(12)15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyDEZKTRDGIUOSJB-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-6-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 65432499
[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62536372
(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124517167
N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 99595335
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid
CID 119349235
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone
CID 172646736
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103733703
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119494037) is (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2c(F)cccc2I)C1.
What is the InChIKey of (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DEZKTRDGIUOSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIN2O/c1-16-9-4-3-7-17(8-9)13(18)12-10(14)5-2-6-11(12)15/h2,5-6,9,16H,3-4,7-8H2,1H3.
What are the key properties of (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 362.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119494037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).