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

C20H24N2O2 — CID 90666212

IUPAC(2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine
SMILESN[C@@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C20H24N2O2/c21-17-11-12-22-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22H,11-14,21H2/t17-,18+,19+/m1/s1
InChIKeyPCJQCKMOFICROT-QYZOEREBSA-N
MW324.42 g/mol
LogP2.38
Rot. Bonds3

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

(2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine (PubChem CID 90666212) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine
PubChem CID90666212
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine
SMILESN[C@@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C20H24N2O2/c21-17-11-12-22-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22H,11-14,21H2/t17-,18+,19+/m1/s1
InChIKeyPCJQCKMOFICROT-QYZOEREBSA-N
XLogP2.38
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine?
The IUPAC name of (2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine (CID 90666212) is (2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine.
What is the SMILES notation for (2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine?
The canonical SMILES for (2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine is N[C@@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1.
What is the InChIKey of (2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine?
The InChIKey is PCJQCKMOFICROT-QYZOEREBSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-17-11-12-22-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22H,11-14,21H2/t17-,18+,19+/m1/s1.
What are the key properties of (2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine?
(2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine has a molecular weight of 324.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-amine is sourced from PubChem (CID 90666212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).