3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine

C14H20ClNO2 — CID 117427657

IUPAC3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
SMILESCOc1c(C2CCCNC2)cc(Cl)c(C)c1OC
InChIInChI=1S/C14H20ClNO2/c1-9-12(15)7-11(10-5-4-6-16-8-10)14(18-3)13(9)17-2/h7,10,16H,4-6,8H2,1-3H3
InChIKeyAYPDLNZFOZDDQS-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.13
Rot. Bonds3

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

3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine (PubChem CID 117427657) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine.

Molecular Properties

Compound Name3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
PubChem CID117427657
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
SMILESCOc1c(C2CCCNC2)cc(Cl)c(C)c1OC
InChIInChI=1S/C14H20ClNO2/c1-9-12(15)7-11(10-5-4-6-16-8-10)14(18-3)13(9)17-2/h7,10,16H,4-6,8H2,1-3H3
InChIKeyAYPDLNZFOZDDQS-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
CID 117479597
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine
CID 117417679
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497485
3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
CID 117456300
3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116459
3-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387256

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine?
The IUPAC name of 3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine (CID 117427657) is 3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine.
What is the SMILES notation for 3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine?
The canonical SMILES for 3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine is COc1c(C2CCCNC2)cc(Cl)c(C)c1OC.
What is the InChIKey of 3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine?
The InChIKey is AYPDLNZFOZDDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-12(15)7-11(10-5-4-6-16-8-10)14(18-3)13(9)17-2/h7,10,16H,4-6,8H2,1-3H3.
What are the key properties of 3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine?
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine has a molecular weight of 269.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine is sourced from PubChem (CID 117427657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).