4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine

C13H17ClFNO2 — CID 117437140

IUPAC4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine
SMILESCOc1c(Cl)cc(C2CCNCC2)c(OC)c1F
InChIInChI=1S/C13H17ClFNO2/c1-17-12-9(8-3-5-16-6-4-8)7-10(14)13(18-2)11(12)15/h7-8,16H,3-6H2,1-2H3
InChIKeyOLBNONQTLSFQQR-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.96
Rot. Bonds3

About 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine

4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine (PubChem CID 117437140) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine
PubChem CID117437140
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine
SMILESCOc1c(Cl)cc(C2CCNCC2)c(OC)c1F
InChIInChI=1S/C13H17ClFNO2/c1-17-12-9(8-3-5-16-6-4-8)7-10(14)13(18-2)11(12)15/h7-8,16H,3-6H2,1-2H3
InChIKeyOLBNONQTLSFQQR-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine?
The IUPAC name of 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine (CID 117437140) is 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine?
The canonical SMILES for 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine is COc1c(Cl)cc(C2CCNCC2)c(OC)c1F.
What is the InChIKey of 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine?
The InChIKey is OLBNONQTLSFQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-17-12-9(8-3-5-16-6-4-8)7-10(14)13(18-2)11(12)15/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine?
4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine has a molecular weight of 273.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)piperidine is sourced from PubChem (CID 117437140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).