2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol

C15H24N2O2 — CID 54917281

IUPAC2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
SMILESCCN1CCC(NCc2cc(OC)ccc2O)CC1
InChIInChI=1S/C15H24N2O2/c1-3-17-8-6-13(7-9-17)16-11-12-10-14(19-2)4-5-15(12)18/h4-5,10,13,16,18H,3,6-9,11H2,1-2H3
InChIKeyJNAPEIKNKOVKHS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds5

About 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol

2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol (PubChem CID 54917281) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
PubChem CID54917281
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
SMILESCCN1CCC(NCc2cc(OC)ccc2O)CC1
InChIInChI=1S/C15H24N2O2/c1-3-17-8-6-13(7-9-17)16-11-12-10-14(19-2)4-5-15(12)18/h4-5,10,13,16,18H,3,6-9,11H2,1-2H3
InChIKeyJNAPEIKNKOVKHS-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'}

Analyze 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718169
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol
CID 43694220
2-[(cyclooctylamino)methyl]-4-(2,5-dimethoxyphenyl)phenol
CID 45488585
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 119127125
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 103784727
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol (CID 54917281) is 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol is CCN1CCC(NCc2cc(OC)ccc2O)CC1.
What is the InChIKey of 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol?
The InChIKey is JNAPEIKNKOVKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17-8-6-13(7-9-17)16-11-12-10-14(19-2)4-5-15(12)18/h4-5,10,13,16,18H,3,6-9,11H2,1-2H3.
What are the key properties of 2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol?
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-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-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 54917281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).