2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol

C17H28N2O2 — CID 106623254

IUPAC2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol
SMILESCCCN(Cc1cccc(OC)c1O)CC1CCCCN1
InChIInChI=1S/C17H28N2O2/c1-3-11-19(13-15-8-4-5-10-18-15)12-14-7-6-9-16(21-2)17(14)20/h6-7,9,15,18,20H,3-5,8,10-13H2,1-2H3
InChIKeyRYWAPEVVSGNNEK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.75
Rot. Bonds7

About 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol

2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol (PubChem CID 106623254) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol
PubChem CID106623254
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol
SMILESCCCN(Cc1cccc(OC)c1O)CC1CCCCN1
InChIInChI=1S/C17H28N2O2/c1-3-11-19(13-15-8-4-5-10-18-15)12-14-7-6-9-16(21-2)17(14)20/h6-7,9,15,18,20H,3-5,8,10-13H2,1-2H3
InChIKeyRYWAPEVVSGNNEK-UHFFFAOYSA-N
XLogP2.75
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]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

2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106603811
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632656
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-[[3-(methoxymethyl)phenyl]methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623591
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200
4-fluoro-2-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106636161
N-[(2-methoxy-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616975
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol (CID 106623254) is 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol is CCCN(Cc1cccc(OC)c1O)CC1CCCCN1.
What is the InChIKey of 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol?
The InChIKey is RYWAPEVVSGNNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-11-19(13-15-8-4-5-10-18-15)12-14-7-6-9-16(21-2)17(14)20/h6-7,9,15,18,20H,3-5,8,10-13H2,1-2H3.
What are the key properties of 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol?
2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol is sourced from PubChem (CID 106623254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).