2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine

C16H25NO3 — CID 117448266

IUPAC2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1cc(CC2CCCCN2)c(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-18-11-12-8-13(10-14-6-4-5-7-17-14)16(20-3)15(9-12)19-2/h8-9,14,17H,4-7,10-11H2,1-3H3
InChIKeyCVBUJGINWMZRTM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds6

About 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine

2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine (PubChem CID 117448266) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
PubChem CID117448266
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1cc(CC2CCCCN2)c(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-18-11-12-8-13(10-14-6-4-5-7-17-14)16(20-3)15(9-12)19-2/h8-9,14,17H,4-7,10-11H2,1-3H3
InChIKeyCVBUJGINWMZRTM-UHFFFAOYSA-N
XLogP2.53
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417625
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417638
3,4-dimethoxy-5-(pyrrolidin-2-ylmethyl)benzoic acid
CID 117417276
2-[[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117482277
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
CID 117479519
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine?
The IUPAC name of 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine (CID 117448266) is 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine is COCc1cc(CC2CCCCN2)c(OC)c(OC)c1.
What is the InChIKey of 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine?
The InChIKey is CVBUJGINWMZRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-11-12-8-13(10-14-6-4-5-7-17-14)16(20-3)15(9-12)19-2/h8-9,14,17H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine?
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine has a molecular weight of 279.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117448266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).