3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine

C15H22ClNO2 — CID 117456300

IUPAC3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
SMILESCOc1c(C)c(C2CCCNC2)c(OC)c(C)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-9-12(11-6-5-7-17-8-11)14(18-3)10(2)13(16)15(9)19-4/h11,17H,5-8H2,1-4H3
InChIKeyMPNYSZFHLOGBNA-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine

3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine (PubChem CID 117456300) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
PubChem CID117456300
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
SMILESCOc1c(C)c(C2CCCNC2)c(OC)c(C)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-9-12(11-6-5-7-17-8-11)14(18-3)10(2)13(16)15(9)19-4/h11,17H,5-8H2,1-4H3
InChIKeyMPNYSZFHLOGBNA-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116459
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
CID 117118006
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine?
The IUPAC name of 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine (CID 117456300) is 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine.
What is the SMILES notation for 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine?
The canonical SMILES for 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine is COc1c(C)c(C2CCCNC2)c(OC)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine?
The InChIKey is MPNYSZFHLOGBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-9-12(11-6-5-7-17-8-11)14(18-3)10(2)13(16)15(9)19-4/h11,17H,5-8H2,1-4H3.
What are the key properties of 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine?
3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine has a molecular weight of 283.80 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine is sourced from PubChem (CID 117456300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).