2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol

C16H26N2O2 — CID 115978550

IUPAC2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNCCC2CCN(C)CC2)ccc1O
InChIInChI=1S/C16H26N2O2/c1-18-9-6-13(7-10-18)5-8-17-12-14-3-4-15(19)16(11-14)20-2/h3-4,11,13,17,19H,5-10,12H2,1-2H3
InChIKeyIPVMSDRUEIPBLL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds6

About 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol

2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol (PubChem CID 115978550) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
PubChem CID115978550
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNCCC2CCN(C)CC2)ccc1O
InChIInChI=1S/C16H26N2O2/c1-18-9-6-13(7-10-18)5-8-17-12-14-3-4-15(19)16(11-14)20-2/h3-4,11,13,17,19H,5-10,12H2,1-2H3
InChIKeyIPVMSDRUEIPBLL-UHFFFAOYSA-N
XLogP2.22
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]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

N-[(4-methoxy-3-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615017
2-bromo-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114515226
2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol
CID 102671737
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312
N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115653390
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
CID 54927262
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 43178235
N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615117
2-methoxy-4-[(thian-4-ylmethylamino)methyl]phenol
CID 115978573
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115907007

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol (CID 115978550) is 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol is COc1cc(CNCCC2CCN(C)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol?
The InChIKey is IPVMSDRUEIPBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18-9-6-13(7-10-18)5-8-17-12-14-3-4-15(19)16(11-14)20-2/h3-4,11,13,17,19H,5-10,12H2,1-2H3.
What are the key properties of 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol?
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 115978550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).