1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate

C21H25NO3 — CID 67195129

IUPAC1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
SMILESCC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C21H25NO3/c1-16(17-12-14-22-15-13-17)25-20(23)21(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,22,24H,12-15H2,1H3
InChIKeyFGKWHKVHGUPVDW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.85
Rot. Bonds5

About 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate

1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 67195129) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
PubChem CID67195129
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
SMILESCC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C21H25NO3/c1-16(17-12-14-22-15-13-17)25-20(23)21(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,22,24H,12-15H2,1H3
InChIKeyFGKWHKVHGUPVDW-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
CID 67195730
[(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
CID 67197472
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
1-(azepan-4-yl)ethyl 2,2-dimethylpropanoate
CID 174702344
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10613945
1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate
CID 174558406
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
CID 155075328
[(1R)-1-piperidin-4-ylethyl] 1-phenylcycloheptane-1-carboxylate
CID 71244251
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
2-hydroxy-2,2-diphenyl-N-(piperidin-4-ylmethyl)acetamide
CID 10403987
(3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate
CID 69370169
tert-butyl N-[[(S)-phenyl(piperidin-4-yl)methyl]amino]carbamate
CID 124679381

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate (CID 67195129) is 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate is CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is FGKWHKVHGUPVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16(17-12-14-22-15-13-17)25-20(23)21(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,22,24H,12-15H2,1H3.
What are the key properties of 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate?
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 339.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 67195129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).