3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol

C21H25NO2 — CID 23173193

IUPAC3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c23-16-20(24)15-22-13-11-19(12-14-22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20,23-24H,11-16H2
InChIKeyHPTZHQMVOMIYOL-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.94
Rot. Bonds5

About 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol

3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol (PubChem CID 23173193) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol
PubChem CID23173193
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c23-16-20(24)15-22-13-11-19(12-14-22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20,23-24H,11-16H2
InChIKeyHPTZHQMVOMIYOL-UHFFFAOYSA-N
XLogP2.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Vesamicol
CID 5662
Vesamicol hydrochloride
CID 212231
1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
CID 98840
(-)-Vesamicol
CID 659840
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
1-(2-Phenylethyl)-4-piperidinol
CID 77055
(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
CID 9860102
Diphemethoxidine
CID 65607
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
Vesamicol hydrochloride, (+/-)-
CID 6603219
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
Piperazine derivative, 10
CID 71463395

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol (CID 23173193) is 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol is OCC(O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol?
The InChIKey is HPTZHQMVOMIYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-16-20(24)15-22-13-11-19(12-14-22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20,23-24H,11-16H2.
What are the key properties of 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol?
3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol has a molecular weight of 323.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylidenepiperidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 23173193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).