4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol

C16H26N2O2 — CID 106623196

IUPAC4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
SMILESCCCN(Cc1ccc(O)c(O)c1)CC1CCCCN1
InChIInChI=1S/C16H26N2O2/c1-2-9-18(12-14-5-3-4-8-17-14)11-13-6-7-15(19)16(20)10-13/h6-7,10,14,17,19-20H,2-5,8-9,11-12H2,1H3
InChIKeyJOOMTVPJZXEZNE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds6

About 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol

4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol (PubChem CID 106623196) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
PubChem CID106623196
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
SMILESCCCN(Cc1ccc(O)c(O)c1)CC1CCCCN1
InChIInChI=1S/C16H26N2O2/c1-2-9-18(12-14-5-3-4-8-17-14)11-13-6-7-15(19)16(20)10-13/h6-7,10,14,17,19-20H,2-5,8-9,11-12H2,1H3
InChIKeyJOOMTVPJZXEZNE-UHFFFAOYSA-N
XLogP2.45
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol 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-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200
4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol
CID 107692162
N-[[3-(methoxymethyl)phenyl]methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623591
N-[(3-bromo-4-chlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603964
N-[[4-(2-methylpropyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603955
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106604712
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604004
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
2-methoxy-4-[[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106606311
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604779
3-fluoro-5-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106635781
2-methoxy-4-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]benzonitrile
CID 106792877

Frequently Asked Questions

What is the IUPAC name of 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol (CID 106623196) is 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol is CCCN(Cc1ccc(O)c(O)c1)CC1CCCCN1.
What is the InChIKey of 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol?
The InChIKey is JOOMTVPJZXEZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-9-18(12-14-5-3-4-8-17-14)11-13-6-7-15(19)16(20)10-13/h6-7,10,14,17,19-20H,2-5,8-9,11-12H2,1H3.
What are the key properties of 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol?
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol has a molecular weight of 278.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 106623196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).