(2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol

C21H26N2O2 — CID 177417774

IUPAC(2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](CON=C(c1ccccc1)c1ccccc1)CN1CCCCC1
InChIInChI=1S/C21H26N2O2/c24-20(16-23-14-8-3-9-15-23)17-25-22-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,24H,3,8-9,14-17H2/t20-/m1/s1
InChIKeyYPSPHQFWQFGUMA-HXUWFJFHSA-N
MW338.45 g/mol
LogP3.30
Rot. Bonds7

About (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol

(2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 177417774) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol
PubChem CID177417774
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](CON=C(c1ccccc1)c1ccccc1)CN1CCCCC1
InChIInChI=1S/C21H26N2O2/c24-20(16-23-14-8-3-9-15-23)17-25-22-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,24H,3,8-9,14-17H2/t20-/m1/s1
InChIKeyYPSPHQFWQFGUMA-HXUWFJFHSA-N
XLogP3.30
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-[(2S,6R)-2,6-bis[2-(3-fluorophenyl)ethyl]piperidin-1-yl]propane-1,2-diol
CID 76311251
(2R)-3-[(2R,6S)-2,6-bis(2-phenylethyl)piperidin-1-yl]propane-1,2-diol
CID 76318455
(2S)-3-[(2R,6S)-2,6-bis(2-phenylethyl)piperidin-1-yl]propane-1,2-diol
CID 76329324
(2S)-3-[(2S,6R)-2,6-bis[2-(3-fluorophenyl)ethyl]piperidin-1-yl]propane-1,2-diol
CID 76322133
1-(Benzhydrylideneamino)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 12380465
1-(Benzhydrylideneamino)oxy-3-(tert-butylamino)propan-2-ol;hydrochloride
CID 12380467
(NZ)-N-[[3-(2-morpholin-4-ylethyl)phenyl]-phenylmethylidene]hydroxylamine
CID 20480068
[(1R,2S)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol
CID 118729879
[(1S,2R)-2-[2-(benzhydrylideneamino)oxyethyl-methylamino]cyclohexyl]methanol
CID 118729880
(E)-1-(4-fluorophenyl)-4-phenyl-N-(3-piperidin-1-ylpropoxy)butan-1-imine
CID 145801793
(E)-1-(4-fluorophenyl)-N-(3-morpholin-4-ylpropoxy)-4-phenylbutan-1-imine
CID 145801803
(E)-1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
CID 145801809

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol (CID 177417774) is (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol is O[C@@H](CON=C(c1ccccc1)c1ccccc1)CN1CCCCC1.
What is the InChIKey of (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is YPSPHQFWQFGUMA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20(16-23-14-8-3-9-15-23)17-25-22-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,24H,3,8-9,14-17H2/t20-/m1/s1.
What are the key properties of (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol?
(2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 338.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzhydrylideneamino)oxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 177417774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).