piperidin-4-yl 2-hydroxy-2,2-diphenylacetate

C19H21NO3 — CID 524284

IUPACpiperidin-4-yl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCNCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
InChIKeyCNWMSZBRGJWEKC-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.22
Rot. Bonds4

About piperidin-4-yl 2-hydroxy-2,2-diphenylacetate

piperidin-4-yl 2-hydroxy-2,2-diphenylacetate (PubChem CID 524284) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is piperidin-4-yl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Namepiperidin-4-yl 2-hydroxy-2,2-diphenylacetate
PubChem CID524284
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namepiperidin-4-yl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCNCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
InChIKeyCNWMSZBRGJWEKC-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of piperidin-4-yl 2-hydroxy-2,2-diphenylacetate (CID 524284) is piperidin-4-yl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for piperidin-4-yl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for piperidin-4-yl 2-hydroxy-2,2-diphenylacetate is O=C(OC1CCNCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of piperidin-4-yl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is CNWMSZBRGJWEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2.
What are the key properties of piperidin-4-yl 2-hydroxy-2,2-diphenylacetate?
piperidin-4-yl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 311.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 524284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).