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

C20H21FN2O3 — CID 139562777

IUPAC(4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
SMILESO=C(c1cc(F)cc2c1OCOC2)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21FN2O3/c21-17-10-16-13-25-14-26-19(16)18(11-17)20(24)23-8-6-22(7-9-23)12-15-4-2-1-3-5-15/h1-5,10-11H,6-9,12-14H2
InChIKeyDUFTXXLXYCOKBG-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.65
Rot. Bonds3

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

(4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone (PubChem CID 139562777) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
PubChem CID139562777
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
SMILESO=C(c1cc(F)cc2c1OCOC2)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21FN2O3/c21-17-10-16-13-25-14-26-19(16)18(11-17)20(24)23-8-6-22(7-9-23)12-15-4-2-1-3-5-15/h1-5,10-11H,6-9,12-14H2
InChIKeyDUFTXXLXYCOKBG-UHFFFAOYSA-N
XLogP2.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-fluoro-4H-1,3-benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone
CID 139562785
[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37375804
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
1-(6-fluoro-4H-1,3-benzodioxine-8-carbonyl)piperidine-4-carboxylate
CID 6930925
(4-benzylpiperazin-1-yl)-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 9402325
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
(4-benzyl-1,4-diazepan-1-yl)-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 30898510
N-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 47012415
3-(4-benzylpiperazine-1-carbonyl)-6-fluoroisochromen-1-one
CID 175651883
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 110853051
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
(4-benzylpiperazin-1-yl)-(2-chloro-3-fluoro-4-pyridinyl)methanone
CID 110853109

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone (CID 139562777) is (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone is O=C(c1cc(F)cc2c1OCOC2)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone?
The InChIKey is DUFTXXLXYCOKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-10-16-13-25-14-26-19(16)18(11-17)20(24)23-8-6-22(7-9-23)12-15-4-2-1-3-5-15/h1-5,10-11H,6-9,12-14H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone?
(4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone has a molecular weight of 356.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone is sourced from PubChem (CID 139562777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).