4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol

C17H28N2O2 — CID 106625159

IUPAC4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
SMILESCCCN(Cc1cc(OC)ccc1O)CC1CCCNC1
InChIInChI=1S/C17H28N2O2/c1-3-9-19(12-14-5-4-8-18-11-14)13-15-10-16(21-2)6-7-17(15)20/h6-7,10,14,18,20H,3-5,8-9,11-13H2,1-2H3
InChIKeyQNNMKUMQRHYSOH-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.61
Rot. Bonds7

About 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol

4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol (PubChem CID 106625159) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
PubChem CID106625159
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
SMILESCCCN(Cc1cc(OC)ccc1O)CC1CCCNC1
InChIInChI=1S/C17H28N2O2/c1-3-9-19(12-14-5-4-8-18-11-14)13-15-10-16(21-2)6-7-17(15)20/h6-7,10,14,18,20H,3-5,8-9,11-13H2,1-2H3
InChIKeyQNNMKUMQRHYSOH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[[piperidin-3-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

4-chloro-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625458
4-bromo-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 107739212
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640868
2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-5-methoxyphenol
CID 106624786
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625212
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625464
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625257
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640448
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
4-bromo-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]phenol
CID 107739182

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol (CID 106625159) is 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol is CCCN(Cc1cc(OC)ccc1O)CC1CCCNC1.
What is the InChIKey of 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol?
The InChIKey is QNNMKUMQRHYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-9-19(12-14-5-4-8-18-11-14)13-15-10-16(21-2)6-7-17(15)20/h6-7,10,14,18,20H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol?
4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol is sourced from PubChem (CID 106625159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).