(3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate

C31H29NO2 — CID 171975509

IUPAC(3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate
SMILESO=C(OC1CCNCC1(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO2/c33-30(29(24-13-5-1-6-14-24)25-15-7-2-8-16-25)34-28-21-22-32-23-31(28,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29,32H,21-23H2
InChIKeyJHTSIHNMNHJCBB-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.71
Rot. Bonds6

About (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate

(3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate (PubChem CID 171975509) has the molecular formula C31H29NO2 and a molecular weight of 447.58 g/mol. Its IUPAC name is (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate
PubChem CID171975509
Molecular FormulaC31H29NO2
Molecular Weight447.58 g/mol
Exact Mass447.22
IUPAC Name(3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate
SMILESO=C(OC1CCNCC1(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO2/c33-30(29(24-13-5-1-6-14-24)25-15-7-2-8-16-25)34-28-21-22-32-23-31(28,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29,32H,21-23H2
InChIKeyJHTSIHNMNHJCBB-UHFFFAOYSA-N
XLogP5.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate?
The IUPAC name of (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate (CID 171975509) is (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate.
What is the SMILES notation for (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate?
The canonical SMILES for (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate is O=C(OC1CCNCC1(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate?
The InChIKey is JHTSIHNMNHJCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO2/c33-30(29(24-13-5-1-6-14-24)25-15-7-2-8-16-25)34-28-21-22-32-23-31(28,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-29,32H,21-23H2.
What are the key properties of (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate?
(3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate has a molecular weight of 447.58 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate is sourced from PubChem (CID 171975509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).