2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol

C15H24N2O2 — CID 63642755

IUPAC2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
SMILESCCN(Cc1cccc(OC)c1O)C1CCCNC1
InChIInChI=1S/C15H24N2O2/c1-3-17(13-7-5-9-16-10-13)11-12-6-4-8-14(19-2)15(12)18/h4,6,8,13,16,18H,3,5,7,9-11H2,1-2H3
InChIKeyOGZSZHQEAPDXEY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds5

About 2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol

2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol (PubChem CID 63642755) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
PubChem CID63642755
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
SMILESCCN(Cc1cccc(OC)c1O)C1CCCNC1
InChIInChI=1S/C15H24N2O2/c1-3-17(13-7-5-9-16-10-13)11-12-6-4-8-14(19-2)15(12)18/h4,6,8,13,16,18H,3,5,7,9-11H2,1-2H3
InChIKeyOGZSZHQEAPDXEY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
CID 82977158
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
N-ethyl-2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 60807403
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-ethyl-N-[(2-nitrophenyl)methyl]piperidin-3-amine
CID 55247967
methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate
CID 63636262

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol (CID 63642755) is 2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol is CCN(Cc1cccc(OC)c1O)C1CCCNC1.
What is the InChIKey of 2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol?
The InChIKey is OGZSZHQEAPDXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17(13-7-5-9-16-10-13)11-12-6-4-8-14(19-2)15(12)18/h4,6,8,13,16,18H,3,5,7,9-11H2,1-2H3.
What are the key properties of 2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol?
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol 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-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 63642755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).