4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol

C16H26N2O3 — CID 83009315

IUPAC4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNN2C(C)CCCC2C)cc(OC)c1O
InChIInChI=1S/C16H26N2O3/c1-11-6-5-7-12(2)18(11)17-10-13-8-14(20-3)16(19)15(9-13)21-4/h8-9,11-12,17,19H,5-7,10H2,1-4H3
InChIKeyVUTNHKHNRLUROL-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.68
Rot. Bonds5

About 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol

4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol (PubChem CID 83009315) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol
PubChem CID83009315
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNN2C(C)CCCC2C)cc(OC)c1O
InChIInChI=1S/C16H26N2O3/c1-11-6-5-7-12(2)18(11)17-10-13-8-14(20-3)16(19)15(9-13)21-4/h8-9,11-12,17,19H,5-7,10H2,1-4H3
InChIKeyVUTNHKHNRLUROL-UHFFFAOYSA-N
XLogP2.68
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol (CID 83009315) is 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol is COc1cc(CNN2C(C)CCCC2C)cc(OC)c1O.
What is the InChIKey of 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is VUTNHKHNRLUROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-6-5-7-12(2)18(11)17-10-13-8-14(20-3)16(19)15(9-13)21-4/h8-9,11-12,17,19H,5-7,10H2,1-4H3.
What are the key properties of 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol?
4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 294.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 83009315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).