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

C13H18ClNO2 — CID 117392621

IUPAC3-(2-chloro-3,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc(C2CCCNC2)c(Cl)c1OC
InChIInChI=1S/C13H18ClNO2/c1-16-11-6-5-10(12(14)13(11)17-2)9-4-3-7-15-8-9/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyCNRPTESLHYNBJP-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.82
Rot. Bonds3

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

3-(2-chloro-3,4-dimethoxyphenyl)piperidine (PubChem CID 117392621) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-(2-chloro-3,4-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name3-(2-chloro-3,4-dimethoxyphenyl)piperidine
PubChem CID117392621
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-(2-chloro-3,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc(C2CCCNC2)c(Cl)c1OC
InChIInChI=1S/C13H18ClNO2/c1-16-11-6-5-10(12(14)13(11)17-2)9-4-3-7-15-8-9/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyCNRPTESLHYNBJP-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

(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine
CID 79320890
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
CID 117408157
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
2-methoxy-3-piperidin-3-ylaniline
CID 174616983
3-(6-ethyl-2,3-dimethoxyphenyl)piperidine
CID 117376940
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)piperidine?
The IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)piperidine (CID 117392621) is 3-(2-chloro-3,4-dimethoxyphenyl)piperidine.
What is the SMILES notation for 3-(2-chloro-3,4-dimethoxyphenyl)piperidine?
The canonical SMILES for 3-(2-chloro-3,4-dimethoxyphenyl)piperidine is COc1ccc(C2CCCNC2)c(Cl)c1OC.
What is the InChIKey of 3-(2-chloro-3,4-dimethoxyphenyl)piperidine?
The InChIKey is CNRPTESLHYNBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-11-6-5-10(12(14)13(11)17-2)9-4-3-7-15-8-9/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(2-chloro-3,4-dimethoxyphenyl)piperidine?
3-(2-chloro-3,4-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-3,4-dimethoxyphenyl)piperidine is sourced from PubChem (CID 117392621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).