2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine

C16H25NO3 — CID 117448273

IUPAC2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1c(OC)cc(CC2CCCCN2)cc1OC
InChIInChI=1S/C16H25NO3/c1-18-11-14-15(19-2)9-12(10-16(14)20-3)8-13-6-4-5-7-17-13/h9-10,13,17H,4-8,11H2,1-3H3
InChIKeyKBZBNAHPMQPPQU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds6

About 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine

2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine (PubChem CID 117448273) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
PubChem CID117448273
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1c(OC)cc(CC2CCCCN2)cc1OC
InChIInChI=1S/C16H25NO3/c1-18-11-14-15(19-2)9-12(10-16(14)20-3)8-13-6-4-5-7-17-13/h9-10,13,17H,4-8,11H2,1-3H3
InChIKeyKBZBNAHPMQPPQU-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-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417638
2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417625
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117482277
7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole
CID 117399744
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine?
The IUPAC name of 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine (CID 117448273) is 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine is COCc1c(OC)cc(CC2CCCCN2)cc1OC.
What is the InChIKey of 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine?
The InChIKey is KBZBNAHPMQPPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-11-14-15(19-2)9-12(10-16(14)20-3)8-13-6-4-5-7-17-13/h9-10,13,17H,4-8,11H2,1-3H3.
What are the key properties of 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine?
2-[[3,5-dimethoxy-4-(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-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117448273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).