2-[(2,3,6-trimethoxyphenyl)methyl]piperidine

C15H23NO3 — CID 117417665

IUPAC2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(OC)c(OC)c1CC1CCCCN1
InChIInChI=1S/C15H23NO3/c1-17-13-7-8-14(18-2)15(19-3)12(13)10-11-6-4-5-9-16-11/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyATVIONBJPLECHV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.40
Rot. Bonds5

About 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine

2-[(2,3,6-trimethoxyphenyl)methyl]piperidine (PubChem CID 117417665) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
PubChem CID117417665
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(OC)c(OC)c1CC1CCCCN1
InChIInChI=1S/C15H23NO3/c1-17-13-7-8-14(18-2)15(19-3)12(13)10-11-6-4-5-9-16-11/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyATVIONBJPLECHV-UHFFFAOYSA-N
XLogP2.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
CID 117413480
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117467262
2-[(3,6-dimethoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117498779
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387667
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine (CID 117417665) is 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine is COc1ccc(OC)c(OC)c1CC1CCCCN1.
What is the InChIKey of 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine?
The InChIKey is ATVIONBJPLECHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-13-7-8-14(18-2)15(19-3)12(13)10-11-6-4-5-9-16-11/h7-8,11,16H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine?
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine has a molecular weight of 265.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,6-trimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117417665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).