3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol

C20H26N2O2 — CID 75405291

IUPAC3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol
SMILESOCC1CCN(c2ccc(CNCc3cccc(O)c3)cc2)CC1
InChIInChI=1S/C20H26N2O2/c23-15-17-8-10-22(11-9-17)19-6-4-16(5-7-19)13-21-14-18-2-1-3-20(24)12-18/h1-7,12,17,21,23-24H,8-11,13-15H2
InChIKeyXGQBSVGHCUQDDT-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.89
Rot. Bonds6

About 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol

3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol (PubChem CID 75405291) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol
PubChem CID75405291
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol
SMILESOCC1CCN(c2ccc(CNCc3cccc(O)c3)cc2)CC1
InChIInChI=1S/C20H26N2O2/c23-15-17-8-10-22(11-9-17)19-6-4-16(5-7-19)13-21-14-18-2-1-3-20(24)12-18/h1-7,12,17,21,23-24H,8-11,13-15H2
InChIKeyXGQBSVGHCUQDDT-UHFFFAOYSA-N
XLogP2.89
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905943
[1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 111436552
[1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905918
[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 109479915
3-[[(4-chlorophenyl)methylamino]methyl]phenol
CID 28738427
3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile
CID 47625903
[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 111466478
3-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639607
N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]butane-1-sulfonamide
CID 56806564
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol?
The IUPAC name of 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol (CID 75405291) is 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol.
What is the SMILES notation for 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol?
The canonical SMILES for 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol is OCC1CCN(c2ccc(CNCc3cccc(O)c3)cc2)CC1.
What is the InChIKey of 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol?
The InChIKey is XGQBSVGHCUQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-15-17-8-10-22(11-9-17)19-6-4-16(5-7-19)13-21-14-18-2-1-3-20(24)12-18/h1-7,12,17,21,23-24H,8-11,13-15H2.
What are the key properties of 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol?
3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol has a molecular weight of 326.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol is sourced from PubChem (CID 75405291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).