2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine

C14H20ClNO2 — CID 117427671

IUPAC2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
SMILESCOc1cc(C)c(OC)c(Cl)c1C1CCCCN1
InChIInChI=1S/C14H20ClNO2/c1-9-8-11(17-2)12(13(15)14(9)18-3)10-6-4-5-7-16-10/h8,10,16H,4-7H2,1-3H3
InChIKeyQEXFVHSECPCPGD-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.48
Rot. Bonds3

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

2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine (PubChem CID 117427671) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
PubChem CID117427671
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
SMILESCOc1cc(C)c(OC)c(Cl)c1C1CCCCN1
InChIInChI=1S/C14H20ClNO2/c1-9-8-11(17-2)12(13(15)14(9)18-3)10-6-4-5-7-16-10/h8,10,16H,4-7H2,1-3H3
InChIKeyQEXFVHSECPCPGD-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
CID 117432185
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
2-(2,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 130144394
2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117403489
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine?
The IUPAC name of 2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine (CID 117427671) is 2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine.
What is the SMILES notation for 2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine?
The canonical SMILES for 2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine is COc1cc(C)c(OC)c(Cl)c1C1CCCCN1.
What is the InChIKey of 2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine?
The InChIKey is QEXFVHSECPCPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-8-11(17-2)12(13(15)14(9)18-3)10-6-4-5-7-16-10/h8,10,16H,4-7H2,1-3H3.
What are the key properties of 2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine?
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine has a molecular weight of 269.77 g/mol, XLogP of 3.48, 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-dimethoxy-4-methylphenyl)piperidine is sourced from PubChem (CID 117427671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).