4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol

C16H26N2O2 — CID 28674803

IUPAC4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
SMILESCC1(C)CC(NCc2ccc(O)c(O)c2)CC(C)(C)N1
InChIInChI=1S/C16H26N2O2/c1-15(2)8-12(9-16(3,4)18-15)17-10-11-5-6-13(19)14(20)7-11/h5-7,12,17-20H,8-10H2,1-4H3
InChIKeyHZJDYCUQIXJYQU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.50
Rot. Bonds3

About 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol

4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol (PubChem CID 28674803) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
PubChem CID28674803
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
SMILESCC1(C)CC(NCc2ccc(O)c(O)c2)CC(C)(C)N1
InChIInChI=1S/C16H26N2O2/c1-15(2)8-12(9-16(3,4)18-15)17-10-11-5-6-13(19)14(20)7-11/h5-7,12,17-20H,8-10H2,1-4H3
InChIKeyHZJDYCUQIXJYQU-UHFFFAOYSA-N
XLogP2.50
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.50
H-Bond Donors ≤ 54
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-[[(2,2,6,6-tetramethylpiperidin-4-yl)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-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
CID 28675051
N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674695
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 60687154
N-(1H-indazol-6-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114803
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114792
N-(furan-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 63204890
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid
CID 17052859
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 64738706
2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119114791
N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid;hydrate
CID 90485246

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol (CID 28674803) is 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol is CC1(C)CC(NCc2ccc(O)c(O)c2)CC(C)(C)N1.
What is the InChIKey of 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol?
The InChIKey is HZJDYCUQIXJYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2)8-12(9-16(3,4)18-15)17-10-11-5-6-13(19)14(20)7-11/h5-7,12,17-20H,8-10H2,1-4H3.
What are the key properties of 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol?
4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol has a molecular weight of 278.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 28674803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).