(4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate

C28H32N2O3 — CID 69369459

IUPAC(4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCC(CCC1CCNCC1)c1ccccn1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c31-27(28(32,24-9-3-1-4-10-24)25-11-5-2-6-12-25)33-21-23(26-13-7-8-18-30-26)15-14-22-16-19-29-20-17-22/h1-13,18,22-23,29,32H,14-17,19-21H2
InChIKeyQWQBPPWDQHGPMN-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.42
Rot. Bonds9

About (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate

(4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate (PubChem CID 69369459) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate
PubChem CID69369459
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name(4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCC(CCC1CCNCC1)c1ccccn1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c31-27(28(32,24-9-3-1-4-10-24)25-11-5-2-6-12-25)33-21-23(26-13-7-8-18-30-26)15-14-22-16-19-29-20-17-22/h1-13,18,22-23,29,32H,14-17,19-21H2
InChIKeyQWQBPPWDQHGPMN-UHFFFAOYSA-N
XLogP4.42
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate (CID 69369459) is (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate is O=C(OCC(CCC1CCNCC1)c1ccccn1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate?
The InChIKey is QWQBPPWDQHGPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c31-27(28(32,24-9-3-1-4-10-24)25-11-5-2-6-12-25)33-21-23(26-13-7-8-18-30-26)15-14-22-16-19-29-20-17-22/h1-13,18,22-23,29,32H,14-17,19-21H2.
What are the key properties of (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate?
(4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate has a molecular weight of 444.58 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-4-yl-2-pyridin-2-ylbutyl) 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 69369459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).