2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine

C13H16FNO3 — CID 117385569

IUPAC2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
SMILESCOc1c(F)cc2c(c1C1CCCCN1)OCO2
InChIInChI=1S/C13H16FNO3/c1-16-12-8(14)6-10-13(18-7-17-10)11(12)9-4-2-3-5-15-9/h6,9,15H,2-5,7H2,1H3
InChIKeyKVZRWOCSIBZSEE-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.38
Rot. Bonds2

About 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine

2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine (PubChem CID 117385569) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine.

Molecular Properties

Compound Name2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
PubChem CID117385569
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
SMILESCOc1c(F)cc2c(c1C1CCCCN1)OCO2
InChIInChI=1S/C13H16FNO3/c1-16-12-8(14)6-10-13(18-7-17-10)11(12)9-4-2-3-5-15-9/h6,9,15H,2-5,7H2,1H3
InChIKeyKVZRWOCSIBZSEE-UHFFFAOYSA-N
XLogP2.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine 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

2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117385693
2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)piperidine
CID 117486174
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385570
2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117486587
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117456238
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine
CID 117451438

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine?
The IUPAC name of 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine (CID 117385569) is 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine.
What is the SMILES notation for 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine?
The canonical SMILES for 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine is COc1c(F)cc2c(c1C1CCCCN1)OCO2.
What is the InChIKey of 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine?
The InChIKey is KVZRWOCSIBZSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-16-12-8(14)6-10-13(18-7-17-10)11(12)9-4-2-3-5-15-9/h6,9,15H,2-5,7H2,1H3.
What are the key properties of 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine?
2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine has a molecular weight of 253.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine is sourced from PubChem (CID 117385569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).