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

C13H18ClNO2 — CID 117392623

IUPAC3-(2-chloro-4,5-dimethoxyphenyl)piperidine
SMILESCOc1cc(Cl)c(C2CCCNC2)cc1OC
InChIInChI=1S/C13H18ClNO2/c1-16-12-6-10(9-4-3-5-15-8-9)11(14)7-13(12)17-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyXZMNBOYSCQELCV-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.82
Rot. Bonds3

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

3-(2-chloro-4,5-dimethoxyphenyl)piperidine (PubChem CID 117392623) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-(2-chloro-4,5-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name3-(2-chloro-4,5-dimethoxyphenyl)piperidine
PubChem CID117392623
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-(2-chloro-4,5-dimethoxyphenyl)piperidine
SMILESCOc1cc(Cl)c(C2CCCNC2)cc1OC
InChIInChI=1S/C13H18ClNO2/c1-16-12-6-10(9-4-3-5-15-8-9)11(14)7-13(12)17-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyXZMNBOYSCQELCV-UHFFFAOYSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine
CID 117452505
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
CID 117387978
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117423076
4-methoxy-3-piperidin-3-ylphenol
CID 117296244

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,5-dimethoxyphenyl)piperidine?
The IUPAC name of 3-(2-chloro-4,5-dimethoxyphenyl)piperidine (CID 117392623) is 3-(2-chloro-4,5-dimethoxyphenyl)piperidine.
What is the SMILES notation for 3-(2-chloro-4,5-dimethoxyphenyl)piperidine?
The canonical SMILES for 3-(2-chloro-4,5-dimethoxyphenyl)piperidine is COc1cc(Cl)c(C2CCCNC2)cc1OC.
What is the InChIKey of 3-(2-chloro-4,5-dimethoxyphenyl)piperidine?
The InChIKey is XZMNBOYSCQELCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-12-6-10(9-4-3-5-15-8-9)11(14)7-13(12)17-2/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of 3-(2-chloro-4,5-dimethoxyphenyl)piperidine?
3-(2-chloro-4,5-dimethoxyphenyl)piperidine has a molecular weight of 255.74 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,5-dimethoxyphenyl)piperidine is sourced from PubChem (CID 117392623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).