(6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone

C14H17FN2O3 — CID 139562785

IUPAC(6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(F)cc3c2OCOC3)CC1
InChIInChI=1S/C14H17FN2O3/c1-16-2-4-17(5-3-16)14(18)12-7-11(15)6-10-8-19-9-20-13(10)12/h6-7H,2-5,8-9H2,1H3
InChIKeyHAIVGJYQJPGBKP-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.08
Rot. Bonds1

About (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone

(6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 139562785) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID139562785
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(F)cc3c2OCOC3)CC1
InChIInChI=1S/C14H17FN2O3/c1-16-2-4-17(5-3-16)14(18)12-7-11(15)6-10-8-19-9-20-13(10)12/h6-7H,2-5,8-9H2,1H3
InChIKeyHAIVGJYQJPGBKP-UHFFFAOYSA-N
XLogP1.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
CID 139562777
1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate
CID 6930925
1,3-benzodioxol-4-yl-(4-methylpiperazin-1-yl)methanone
CID 110699409
[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37375804
(5-fluoro-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 60875443
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[5-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-4-carboxamide
CID 91090408
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
ethyl 4-[N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164249
[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 47012409
methyl 2-amino-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)propanoate
CID 170883507
6-bromo-4H-1,3-benzodioxine-8-carboxylic acid
CID 83901717
6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
CID 67416939

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone (CID 139562785) is (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(F)cc3c2OCOC3)CC1.
What is the InChIKey of (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HAIVGJYQJPGBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-16-2-4-17(5-3-16)14(18)12-7-11(15)6-10-8-19-9-20-13(10)12/h6-7H,2-5,8-9H2,1H3.
What are the key properties of (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone?
(6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 280.30 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 139562785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).