3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride

C13H15ClFNO2 — CID 142147493

IUPAC3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride
SMILESCOc1c(C(=O)Cl)ccc(N2CCCCC2)c1F
InChIInChI=1S/C13H15ClFNO2/c1-18-12-9(13(14)17)5-6-10(11(12)15)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3
InChIKeyHTTCEIZYVAOTEI-UHFFFAOYSA-N
MW271.72 g/mol
LogP3.20
Rot. Bonds3

About 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride

3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride (PubChem CID 142147493) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride.

Molecular Properties

Compound Name3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride
PubChem CID142147493
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride
SMILESCOc1c(C(=O)Cl)ccc(N2CCCCC2)c1F
InChIInChI=1S/C13H15ClFNO2/c1-18-12-9(13(14)17)5-6-10(11(12)15)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3
InChIKeyHTTCEIZYVAOTEI-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
2-pyrrolidin-1-ylbenzoyl chloride
CID 140507858
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
tert-butyl 4-(2,4-difluoro-3-methoxyphenyl)piperazine-1-carboxylate
CID 176811217
2,6-dimethoxy-3-piperidin-1-ylphenol
CID 177031782
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
4-fluoro-3-formyl-2-methoxybenzoyl chloride
CID 171009671
1-(2,3-difluoro-4-methylphenyl)pyrrolidine
CID 168515209
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234
4-iodo-2,3-dimethoxybenzoyl chloride
CID 131075757
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride?
The IUPAC name of 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride (CID 142147493) is 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride.
What is the SMILES notation for 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride?
The canonical SMILES for 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride is COc1c(C(=O)Cl)ccc(N2CCCCC2)c1F.
What is the InChIKey of 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride?
The InChIKey is HTTCEIZYVAOTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-18-12-9(13(14)17)5-6-10(11(12)15)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride?
3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride has a molecular weight of 271.72 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride is sourced from PubChem (CID 142147493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).