1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride

C19H30Cl2FN3O2 — CID 120813896

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride
SMILESCC1(C)CN(C(=O)C(c2ccccc2F)N2CCOCC2)CCC1N.Cl.Cl
InChIInChI=1S/C19H28FN3O2.2ClH/c1-19(2)13-23(8-7-16(19)21)18(24)17(22-9-11-25-12-10-22)14-5-3-4-6-15(14)20;;/h3-6,16-17H,7-13,21H2,1-2H3;2*1H
InChIKeyRHJXNIXWEPQSRB-UHFFFAOYSA-N
MW422.37 g/mol
LogP2.63
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride (PubChem CID 120813896) has the molecular formula C19H30Cl2FN3O2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride
PubChem CID120813896
Molecular FormulaC19H30Cl2FN3O2
Molecular Weight422.37 g/mol
Exact Mass421.17
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride
SMILESCC1(C)CN(C(=O)C(c2ccccc2F)N2CCOCC2)CCC1N.Cl.Cl
InChIInChI=1S/C19H28FN3O2.2ClH/c1-19(2)13-23(8-7-16(19)21)18(24)17(22-9-11-25-12-10-22)14-5-3-4-6-15(14)20;;/h3-6,16-17H,7-13,21H2,1-2H3;2*1H
InChIKeyRHJXNIXWEPQSRB-UHFFFAOYSA-N
XLogP2.63
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-(2-fluorophenyl)-2-morpholin-4-ylethanone
CID 124593426
(2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 124612695
(2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 124591150
(2R)-2-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 124591149
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2-fluorophenyl)-2-morpholin-4-ylethanone
CID 120746023
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride
CID 120818051
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 120818052
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenyl)sulfanyl-2-phenylethanone
CID 120819947
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-difluorophenyl)sulfanyl-2-phenylethanone
CID 120818251
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 97196934
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-methylsulfanyl-2-phenylethanone
CID 120817338

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride (CID 120813896) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride is CC1(C)CN(C(=O)C(c2ccccc2F)N2CCOCC2)CCC1N.Cl.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride?
The InChIKey is RHJXNIXWEPQSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2.2ClH/c1-19(2)13-23(8-7-16(19)21)18(24)17(22-9-11-25-12-10-22)14-5-3-4-6-15(14)20;;/h3-6,16-17H,7-13,21H2,1-2H3;2*1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride has a molecular weight of 422.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride is sourced from PubChem (CID 120813896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).