2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol

C20H23NO3 — CID 46907277

IUPAC2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol
SMILESOC1CCNC(C2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C20H23NO3/c22-17-11-12-21-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14H2
InChIKeyHKIWVNOCBNBVAO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.42
Rot. Bonds3

About 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol

2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol (PubChem CID 46907277) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol
PubChem CID46907277
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol
SMILESOC1CCNC(C2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C20H23NO3/c22-17-11-12-21-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14H2
InChIKeyHKIWVNOCBNBVAO-UHFFFAOYSA-N
XLogP2.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol?
The IUPAC name of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol (CID 46907277) is 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol.
What is the SMILES notation for 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol?
The canonical SMILES for 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol is OC1CCNC(C2COC(c3ccccc3)(c3ccccc3)O2)C1.
What is the InChIKey of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol?
The InChIKey is HKIWVNOCBNBVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-17-11-12-21-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14H2.
What are the key properties of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol?
2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol has a molecular weight of 325.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-ol is sourced from PubChem (CID 46907277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).