(4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate

C28H32N2O3 — CID 69370141

IUPAC(4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCC(CCC1CCNCC1)c1cccnc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c31-27(28(32,25-9-3-1-4-10-25)26-11-5-2-6-12-26)33-21-24(23-8-7-17-30-20-23)14-13-22-15-18-29-19-16-22/h1-12,17,20,22,24,29,32H,13-16,18-19,21H2
InChIKeyJFYTXEUKLJAVMR-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.42
Rot. Bonds9

About (4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate

(4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate (PubChem CID 69370141) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is (4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate
PubChem CID69370141
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name(4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCC(CCC1CCNCC1)c1cccnc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c31-27(28(32,25-9-3-1-4-10-25)26-11-5-2-6-12-26)33-21-24(23-8-7-17-30-20-23)14-13-22-15-18-29-19-16-22/h1-12,17,20,22,24,29,32H,13-16,18-19,21H2
InChIKeyJFYTXEUKLJAVMR-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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Related Compounds

(4-piperidin-4-yl-2-pyrimidin-4-ylbutyl) 2-hydroxy-2,2-diphenylacetate
CID 69370198
(3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate
CID 69370169
(4-piperidin-4-yl-2-pyrimidin-2-ylbutyl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69370425
piperidin-4-ylmethyl (2S)-2-hydroxy-2-(3-hydroxyphenyl)-2-phenylacetate;sulfane;hydrochloride
CID 157100174
2-hydroxy-2,2-diphenyl-N-(piperidin-4-ylmethyl)acetamide
CID 10403987
[3-[(3R)-piperidin-3-yl]-2-pyrimidin-5-ylpropyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 69369422
2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078
[(3R)-3-pyridin-3-yl-4-pyrrolidin-1-ylbutyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69369324
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
[3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69371647
3-pyridin-3-yl-5-[1-[4-(pyridin-2-ylamino)butanoyl]piperidin-4-yl]pentanoic acid
CID 10387647

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate (CID 69370141) is (4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate is O=C(OCC(CCC1CCNCC1)c1cccnc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate?
The InChIKey is JFYTXEUKLJAVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c31-27(28(32,25-9-3-1-4-10-25)26-11-5-2-6-12-26)33-21-24(23-8-7-17-30-20-23)14-13-22-15-18-29-19-16-22/h1-12,17,20,22,24,29,32H,13-16,18-19,21H2.
What are the key properties of (4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate?
(4-piperidin-4-yl-2-pyridin-3-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-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 69370141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).