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

C16H25NO3 — CID 117448288

IUPAC3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1c(OC)ccc(CC2CCCNC2)c1OC
InChIInChI=1S/C16H25NO3/c1-18-11-14-15(19-2)7-6-13(16(14)20-3)9-12-5-4-8-17-10-12/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyMJBQVBDGUZAYJT-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.39
Rot. Bonds6

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

3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine (PubChem CID 117448288) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine
PubChem CID117448288
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1c(OC)ccc(CC2CCCNC2)c1OC
InChIInChI=1S/C16H25NO3/c1-18-11-14-15(19-2)7-6-13(16(14)20-3)9-12-5-4-8-17-10-12/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyMJBQVBDGUZAYJT-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
3-[(2-bromo-3,6-dimethoxyphenyl)methyl]piperidine
CID 117499754
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole
CID 117363152
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206

Frequently Asked Questions

What is the IUPAC name of 3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine (CID 117448288) is 3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine is COCc1c(OC)ccc(CC2CCCNC2)c1OC.
What is the InChIKey of 3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine?
The InChIKey is MJBQVBDGUZAYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-11-14-15(19-2)7-6-13(16(14)20-3)9-12-5-4-8-17-10-12/h6-7,12,17H,4-5,8-11H2,1-3H3.
What are the key properties of 3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine?
3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine has a molecular weight of 279.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117448288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).