4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol

C14H22N2O2 — CID 79032189

IUPAC4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
SMILESCC1CC(NCc2ccc(O)cc2O)CCN1C
InChIInChI=1S/C14H22N2O2/c1-10-7-12(5-6-16(10)2)15-9-11-3-4-13(17)8-14(11)18/h3-4,8,10,12,15,17-18H,5-7,9H2,1-2H3
InChIKeyTYANIRKRFNEQRH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.67
Rot. Bonds3

About 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol

4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol (PubChem CID 79032189) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
PubChem CID79032189
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
SMILESCC1CC(NCc2ccc(O)cc2O)CCN1C
InChIInChI=1S/C14H22N2O2/c1-10-7-12(5-6-16(10)2)15-9-11-3-4-13(17)8-14(11)18/h3-4,8,10,12,15,17-18H,5-7,9H2,1-2H3
InChIKeyTYANIRKRFNEQRH-UHFFFAOYSA-N
XLogP1.67
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-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-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 79032255
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 64739906
4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 43317735
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
CID 80711280
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260585
5-chloro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 118140383
3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117316
N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 79032191
1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
CID 79032377

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol (CID 79032189) is 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol is CC1CC(NCc2ccc(O)cc2O)CCN1C.
What is the InChIKey of 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol?
The InChIKey is TYANIRKRFNEQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-12(5-6-16(10)2)15-9-11-3-4-13(17)8-14(11)18/h3-4,8,10,12,15,17-18H,5-7,9H2,1-2H3.
What are the key properties of 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol?
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol has a molecular weight of 250.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 79032189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).