4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol

C16H26N2O — CID 106623736

IUPAC4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CC2CCCNC2)c1
InChIInChI=1S/C16H26N2O/c1-12-6-7-16(19)15(9-12)13(2)18(3)11-14-5-4-8-17-10-14/h6-7,9,13-14,17,19H,4-5,8,10-11H2,1-3H3
InChIKeyZGWJOLKCMOZYLW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol

4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol (PubChem CID 106623736) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
PubChem CID106623736
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CC2CCCNC2)c1
InChIInChI=1S/C16H26N2O/c1-12-6-7-16(19)15(9-12)13(2)18(3)11-14-5-4-8-17-10-14/h6-7,9,13-14,17,19H,4-5,8,10-11H2,1-3H3
InChIKeyZGWJOLKCMOZYLW-UHFFFAOYSA-N
XLogP2.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol 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-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
CID 82980214
N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624190
1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 106599046
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol (CID 106623736) is 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol is Cc1ccc(O)c(C(C)N(C)CC2CCCNC2)c1.
What is the InChIKey of 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol?
The InChIKey is ZGWJOLKCMOZYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-7-16(19)15(9-12)13(2)18(3)11-14-5-4-8-17-10-14/h6-7,9,13-14,17,19H,4-5,8,10-11H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol?
4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol is sourced from PubChem (CID 106623736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).