(1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate

C22H27NO3 — CID 15636668

IUPAC(1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate
SMILESCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
InChIKeySBFXCSQKDQEOCY-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.34
Rot. Bonds6

About (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate

(1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate (PubChem CID 15636668) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate
PubChem CID15636668
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate
SMILESCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
InChIKeySBFXCSQKDQEOCY-UHFFFAOYSA-N
XLogP3.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate (CID 15636668) is (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate is CCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate?
The InChIKey is SBFXCSQKDQEOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3.
What are the key properties of (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate?
(1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate has a molecular weight of 353.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 15636668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).