4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol

C15H24N2O2 — CID 79707423

IUPAC4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1ccc(O)cc1O)N(C)CC1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-11(14-4-3-13(18)9-15(14)19)17(2)10-12-5-7-16-8-6-12/h3-4,9,11-12,16,18-19H,5-8,10H2,1-2H3
InChIKeyJQBOAAXOENBVPV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds4

About 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol

4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol (PubChem CID 79707423) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
PubChem CID79707423
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1ccc(O)cc1O)N(C)CC1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-11(14-4-3-13(18)9-15(14)19)17(2)10-12-5-7-16-8-6-12/h3-4,9,11-12,16,18-19H,5-8,10H2,1-2H3
InChIKeyJQBOAAXOENBVPV-UHFFFAOYSA-N
XLogP2.09
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol (CID 79707423) is 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol is CC(c1ccc(O)cc1O)N(C)CC1CCNCC1.
What is the InChIKey of 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is JQBOAAXOENBVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(14-4-3-13(18)9-15(14)19)17(2)10-12-5-7-16-8-6-12/h3-4,9,11-12,16,18-19H,5-8,10H2,1-2H3.
What are the key properties of 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol?
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 264.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 79707423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).