(4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride

C13H16ClF3N2O2 — CID 119373762

IUPAC(4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(F)cc2OC(F)F)CC1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-8-1-2-10(11(7-8)20-13(15)16)12(19)18-5-3-9(17)4-6-18;/h1-2,7,9,13H,3-6,17H2;1H
InChIKeyYOGAIIXPQJTJJW-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.41
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride (PubChem CID 119373762) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride
PubChem CID119373762
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name(4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(F)cc2OC(F)F)CC1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-8-1-2-10(11(7-8)20-13(15)16)12(19)18-5-3-9(17)4-6-18;/h1-2,7,9,13H,3-6,17H2;1H
InChIKeyYOGAIIXPQJTJJW-UHFFFAOYSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)-4-fluorobenzoyl]pyrrolidine-3-carboxylic acid
CID 119355247
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride
CID 119635963
N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119475467
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 55548039
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119373691
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703712
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103806148

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride (CID 119373762) is (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride is Cl.NC1CCN(C(=O)c2ccc(F)cc2OC(F)F)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride?
The InChIKey is YOGAIIXPQJTJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2.ClH/c14-8-1-2-10(11(7-8)20-13(15)16)12(19)18-5-3-9(17)4-6-18;/h1-2,7,9,13H,3-6,17H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride is sourced from PubChem (CID 119373762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).