2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine

C12H14ClF2NO — CID 117409054

IUPAC2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
SMILESCOc1c(Cl)cc(C2CCCCN2)c(F)c1F
InChIInChI=1S/C12H14ClF2NO/c1-17-12-8(13)6-7(10(14)11(12)15)9-4-2-3-5-16-9/h6,9,16H,2-5H2,1H3
InChIKeyQLTULCBAYDJMNN-UHFFFAOYSA-N
MW261.70 g/mol
LogP3.44
Rot. Bonds2

About 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine

2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine (PubChem CID 117409054) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
PubChem CID117409054
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC Name2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
SMILESCOc1c(Cl)cc(C2CCCCN2)c(F)c1F
InChIInChI=1S/C12H14ClF2NO/c1-17-12-8(13)6-7(10(14)11(12)15)9-4-2-3-5-16-9/h6,9,16H,2-5H2,1H3
InChIKeyQLTULCBAYDJMNN-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
CID 117403491
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 84706284
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine
CID 117486581

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine?
The IUPAC name of 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine (CID 117409054) is 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine.
What is the SMILES notation for 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine?
The canonical SMILES for 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine is COc1c(Cl)cc(C2CCCCN2)c(F)c1F.
What is the InChIKey of 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine?
The InChIKey is QLTULCBAYDJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c1-17-12-8(13)6-7(10(14)11(12)15)9-4-2-3-5-16-9/h6,9,16H,2-5H2,1H3.
What are the key properties of 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine?
2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine has a molecular weight of 261.70 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine is sourced from PubChem (CID 117409054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).