4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol

C21H27NO3 — CID 171986918

IUPAC4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol
SMILESOC1CCN(CC(O)CC(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27NO3/c23-19-11-13-22(14-12-19)16-20(24)15-21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,23-25H,11-16H2
InChIKeyHDBBRVGYXKFADC-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.13
Rot. Bonds6

About 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol

4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol (PubChem CID 171986918) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol
PubChem CID171986918
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol
SMILESOC1CCN(CC(O)CC(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27NO3/c23-19-11-13-22(14-12-19)16-20(24)15-21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,23-25H,11-16H2
InChIKeyHDBBRVGYXKFADC-UHFFFAOYSA-N
XLogP2.13
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol (CID 171986918) is 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol is OC1CCN(CC(O)CC(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol?
The InChIKey is HDBBRVGYXKFADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c23-19-11-13-22(14-12-19)16-20(24)15-21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,23-25H,11-16H2.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol?
4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol has a molecular weight of 341.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol is sourced from PubChem (CID 171986918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).