2-(2-chloro-3,6-dimethoxyphenyl)piperidine

C13H18ClNO2 — CID 117392632

IUPAC2-(2-chloro-3,6-dimethoxyphenyl)piperidine
SMILESCOc1ccc(OC)c(C2CCCCN2)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-16-10-6-7-11(17-2)13(14)12(10)9-5-3-4-8-15-9/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyDFKCPBAXXPVHFE-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-chloro-3,6-dimethoxyphenyl)piperidine

2-(2-chloro-3,6-dimethoxyphenyl)piperidine (PubChem CID 117392632) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(2-chloro-3,6-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(2-chloro-3,6-dimethoxyphenyl)piperidine
PubChem CID117392632
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(2-chloro-3,6-dimethoxyphenyl)piperidine
SMILESCOc1ccc(OC)c(C2CCCCN2)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-16-10-6-7-11(17-2)13(14)12(10)9-5-3-4-8-15-9/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyDFKCPBAXXPVHFE-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131252293
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
CID 117432185
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,6-dimethoxyphenyl)piperidine?
The IUPAC name of 2-(2-chloro-3,6-dimethoxyphenyl)piperidine (CID 117392632) is 2-(2-chloro-3,6-dimethoxyphenyl)piperidine.
What is the SMILES notation for 2-(2-chloro-3,6-dimethoxyphenyl)piperidine?
The canonical SMILES for 2-(2-chloro-3,6-dimethoxyphenyl)piperidine is COc1ccc(OC)c(C2CCCCN2)c1Cl.
What is the InChIKey of 2-(2-chloro-3,6-dimethoxyphenyl)piperidine?
The InChIKey is DFKCPBAXXPVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-10-6-7-11(17-2)13(14)12(10)9-5-3-4-8-15-9/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of 2-(2-chloro-3,6-dimethoxyphenyl)piperidine?
2-(2-chloro-3,6-dimethoxyphenyl)piperidine has a molecular weight of 255.74 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,6-dimethoxyphenyl)piperidine is sourced from PubChem (CID 117392632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).