(2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol

C20H23NO3 — CID 90667070

IUPAC(2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol
SMILESO[C@@H]1CCN[C@H]([C@H]2COC(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/t17-,18+,19-/m1/s1
InChIKeyHKIWVNOCBNBVAO-CEXWTWQISA-N
MW325.41 g/mol
LogP2.42
Rot. Bonds3

About (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol

(2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol (PubChem CID 90667070) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol
PubChem CID90667070
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol
SMILESO[C@@H]1CCN[C@H]([C@H]2COC(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/t17-,18+,19-/m1/s1
InChIKeyHKIWVNOCBNBVAO-CEXWTWQISA-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 (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol?
The IUPAC name of (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol (CID 90667070) is (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol.
What is the SMILES notation for (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol?
The canonical SMILES for (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol is O[C@@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1.
What is the InChIKey of (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol?
The InChIKey is HKIWVNOCBNBVAO-CEXWTWQISA-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/t17-,18+,19-/m1/s1.
What are the key properties of (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol?
(2S,4R)-2-[(4S)-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 (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol is sourced from PubChem (CID 90667070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).