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

C18H22N2O2 — CID 11695097

IUPAC2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
SMILESOc1ccc(O)c(CNC2CCCNC2c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c21-15-8-9-17(22)14(11-15)12-20-16-7-4-10-19-18(16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18-22H,4,7,10,12H2
InChIKeyQMFUSWYEYIQADW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.68
Rot. Bonds4

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

2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol (PubChem CID 11695097) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
PubChem CID11695097
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
SMILESOc1ccc(O)c(CNC2CCCNC2c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c21-15-8-9-17(22)14(11-15)12-20-16-7-4-10-19-18(16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18-22H,4,7,10,12H2
InChIKeyQMFUSWYEYIQADW-UHFFFAOYSA-N
XLogP2.68
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol?
The IUPAC name of 2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol (CID 11695097) is 2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol.
What is the SMILES notation for 2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol?
The canonical SMILES for 2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol is Oc1ccc(O)c(CNC2CCCNC2c2ccccc2)c1.
What is the InChIKey of 2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol?
The InChIKey is QMFUSWYEYIQADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-15-8-9-17(22)14(11-15)12-20-16-7-4-10-19-18(16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18-22H,4,7,10,12H2.
What are the key properties of 2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol?
2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol has a molecular weight of 298.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol is sourced from PubChem (CID 11695097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).