2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol

C15H24N2O2 — CID 55249893

IUPAC2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
SMILESCCOc1cc(CN(C)C2CCCNC2)ccc1O
InChIInChI=1S/C15H24N2O2/c1-3-19-15-9-12(6-7-14(15)18)11-17(2)13-5-4-8-16-10-13/h6-7,9,13,16,18H,3-5,8,10-11H2,1-2H3
InChIKeyVQNRLICNNOATDY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds5

About 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol

2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol (PubChem CID 55249893) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
PubChem CID55249893
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
SMILESCCOc1cc(CN(C)C2CCCNC2)ccc1O
InChIInChI=1S/C15H24N2O2/c1-3-19-15-9-12(6-7-14(15)18)11-17(2)13-5-4-8-16-10-13/h6-7,9,13,16,18H,3-5,8,10-11H2,1-2H3
InChIKeyVQNRLICNNOATDY-UHFFFAOYSA-N
XLogP1.97
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
CID 82976563
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106817825
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
4-[[azepan-4-yl(methyl)amino]methyl]-2-fluorophenol
CID 107692170
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
CID 63637767

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol (CID 55249893) is 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol is CCOc1cc(CN(C)C2CCCNC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol?
The InChIKey is VQNRLICNNOATDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-19-15-9-12(6-7-14(15)18)11-17(2)13-5-4-8-16-10-13/h6-7,9,13,16,18H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol?
2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 55249893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).