4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine

C12H15ClFNO — CID 84802229

IUPAC4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
SMILESCOc1ccc(F)c(C2CCNCC2)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-16-10-3-2-9(14)11(12(10)13)8-4-6-15-7-5-8/h2-3,8,15H,4-7H2,1H3
InChIKeyLKLPWDLJGZIEPC-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.95
Rot. Bonds2

About 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine

4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine (PubChem CID 84802229) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
PubChem CID84802229
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
SMILESCOc1ccc(F)c(C2CCNCC2)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-16-10-3-2-9(14)11(12(10)13)8-4-6-15-7-5-8/h2-3,8,15H,4-7H2,1H3
InChIKeyLKLPWDLJGZIEPC-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dichloro-6-methoxyphenyl)piperidine
CID 156722732
3-fluoro-4-methoxy-2-piperidin-4-ylphenol
CID 84790129
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158
3-fluoro-5-methoxy-4-piperidin-4-ylphenol
CID 84790128
4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
CID 117116603
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
4-[3,6-dimethoxy-2-(methoxymethyl)phenyl]piperidine
CID 117417648
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine?
The IUPAC name of 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine (CID 84802229) is 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine.
What is the SMILES notation for 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine?
The canonical SMILES for 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine is COc1ccc(F)c(C2CCNCC2)c1Cl.
What is the InChIKey of 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine?
The InChIKey is LKLPWDLJGZIEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-16-10-3-2-9(14)11(12(10)13)8-4-6-15-7-5-8/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine?
4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine has a molecular weight of 243.71 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine is sourced from PubChem (CID 84802229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).