4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol

C15H24N2O2 — CID 115614980

IUPAC4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol
SMILESCN1CCC(CCNCc2ccc(O)cc2O)CC1
InChIInChI=1S/C15H24N2O2/c1-17-8-5-12(6-9-17)4-7-16-11-13-2-3-14(18)10-15(13)19/h2-3,10,12,16,18-19H,4-9,11H2,1H3
InChIKeyMINUVVAKRXNNLX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.92
Rot. Bonds5

About 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol

4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol (PubChem CID 115614980) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol
PubChem CID115614980
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol
SMILESCN1CCC(CCNCc2ccc(O)cc2O)CC1
InChIInChI=1S/C15H24N2O2/c1-17-8-5-12(6-9-17)4-7-16-11-13-2-3-14(18)10-15(13)19/h2-3,10,12,16,18-19H,4-9,11H2,1H3
InChIKeyMINUVVAKRXNNLX-UHFFFAOYSA-N
XLogP1.92
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615001
N-[[2-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515268
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169
2-bromo-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114515226
2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 114515132
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115697446
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide
CID 114515915
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 78943189
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol (CID 115614980) is 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol is CN1CCC(CCNCc2ccc(O)cc2O)CC1.
What is the InChIKey of 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol?
The InChIKey is MINUVVAKRXNNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17-8-5-12(6-9-17)4-7-16-11-13-2-3-14(18)10-15(13)19/h2-3,10,12,16,18-19H,4-9,11H2,1H3.
What are the key properties of 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol?
4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol has a molecular weight of 264.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol is sourced from PubChem (CID 115614980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).