2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol

C16H26N2O — CID 55203794

IUPAC2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol
SMILESCCN1CCC(CNCc2cc(C)ccc2O)CC1
InChIInChI=1S/C16H26N2O/c1-3-18-8-6-14(7-9-18)11-17-12-15-10-13(2)4-5-16(15)19/h4-5,10,14,17,19H,3,6-9,11-12H2,1-2H3
InChIKeyZLRHOSRVHJOWOW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds5

About 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol

2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol (PubChem CID 55203794) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol
PubChem CID55203794
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol
SMILESCCN1CCC(CNCc2cc(C)ccc2O)CC1
InChIInChI=1S/C16H26N2O/c1-3-18-8-6-14(7-9-18)11-17-12-15-10-13(2)4-5-16(15)19/h4-5,10,14,17,19H,3,6-9,11-12H2,1-2H3
InChIKeyZLRHOSRVHJOWOW-UHFFFAOYSA-N
XLogP2.52
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol 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

4-methyl-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 63324621
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78943319
1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968095
2-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-methylphenol
CID 63325012
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 81497827
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
1-(1-ethylpiperidin-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243107
2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103245859
6-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyridin-3-ol
CID 79783467
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol (CID 55203794) is 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol is CCN1CCC(CNCc2cc(C)ccc2O)CC1.
What is the InChIKey of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol?
The InChIKey is ZLRHOSRVHJOWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18-8-6-14(7-9-18)11-17-12-15-10-13(2)4-5-16(15)19/h4-5,10,14,17,19H,3,6-9,11-12H2,1-2H3.
What are the key properties of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol?
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol has a molecular weight of 262.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol is sourced from PubChem (CID 55203794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).