3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol

C14H21NO3 — CID 117381520

IUPAC3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
SMILESCOc1cc(O)cc(CC2CCNCC2)c1OC
InChIInChI=1S/C14H21NO3/c1-17-13-9-12(16)8-11(14(13)18-2)7-10-3-5-15-6-4-10/h8-10,15-16H,3-7H2,1-2H3
InChIKeyKAGOZNZOIAGIBW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.95
Rot. Bonds4

About 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol

3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol (PubChem CID 117381520) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
PubChem CID117381520
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
SMILESCOc1cc(O)cc(CC2CCNCC2)c1OC
InChIInChI=1S/C14H21NO3/c1-17-13-9-12(16)8-11(14(13)18-2)7-10-3-5-15-6-4-10/h8-10,15-16H,3-7H2,1-2H3
InChIKeyKAGOZNZOIAGIBW-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
4-fluoro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 117320386
3-(aminomethyl)-4,5-dimethoxyphenol
CID 117279442
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol (CID 117381520) is 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol is COc1cc(O)cc(CC2CCNCC2)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol?
The InChIKey is KAGOZNZOIAGIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-9-12(16)8-11(14(13)18-2)7-10-3-5-15-6-4-10/h8-10,15-16H,3-7H2,1-2H3.
What are the key properties of 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol?
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol has a molecular weight of 251.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117381520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).