(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride

C16H21Cl2FN4O — CID 120819704

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
SMILESCC1(C)CN(C(=O)c2cc(F)cc3nccnc23)CCC1N.Cl.Cl
InChIInChI=1S/C16H19FN4O.2ClH/c1-16(2)9-21(6-3-13(16)18)15(22)11-7-10(17)8-12-14(11)20-5-4-19-12;;/h4-5,7-8,13H,3,6,9,18H2,1-2H3;2*1H
InChIKeyBQQOSFABGRPVBP-UHFFFAOYSA-N
MW375.28 g/mol
LogP2.81
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride (PubChem CID 120819704) has the molecular formula C16H21Cl2FN4O and a molecular weight of 375.28 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
PubChem CID120819704
Molecular FormulaC16H21Cl2FN4O
Molecular Weight375.28 g/mol
Exact Mass374.11
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
SMILESCC1(C)CN(C(=O)c2cc(F)cc3nccnc23)CCC1N.Cl.Cl
InChIInChI=1S/C16H19FN4O.2ClH/c1-16(2)9-21(6-3-13(16)18)15(22)11-7-10(17)8-12-14(11)20-5-4-19-12;;/h4-5,7-8,13H,3,6,9,18H2,1-2H3;2*1H
InChIKeyBQQOSFABGRPVBP-UHFFFAOYSA-N
XLogP2.81
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120809688
(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561387
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119578005
[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 119662738
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 139006327
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
CID 120818978
(7-fluoroquinoxalin-5-yl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128978638

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride (CID 120819704) is (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride is CC1(C)CN(C(=O)c2cc(F)cc3nccnc23)CCC1N.Cl.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
The InChIKey is BQQOSFABGRPVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O.2ClH/c1-16(2)9-21(6-3-13(16)18)15(22)11-7-10(17)8-12-14(11)20-5-4-19-12;;/h4-5,7-8,13H,3,6,9,18H2,1-2H3;2*1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride has a molecular weight of 375.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 120819704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).