(1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate

C22H27NO2 — CID 45273231

IUPAC(1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate
SMILESCCN1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c1-3-23-16-14-20(15-17-23)25-21(24)22(2,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,3,14-17H2,1-2H3
InChIKeyLVTSCOWVHVXZNL-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.02
Rot. Bonds5

About (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate

(1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate (PubChem CID 45273231) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate
PubChem CID45273231
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate
SMILESCCN1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c1-3-23-16-14-20(15-17-23)25-21(24)22(2,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,3,14-17H2,1-2H3
InChIKeyLVTSCOWVHVXZNL-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate?
The IUPAC name of (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate (CID 45273231) is (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate.
What is the SMILES notation for (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate?
The canonical SMILES for (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate is CCN1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate?
The InChIKey is LVTSCOWVHVXZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-23-16-14-20(15-17-23)25-21(24)22(2,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,3,14-17H2,1-2H3.
What are the key properties of (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate?
(1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate has a molecular weight of 337.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl) 2,2-diphenylpropanoate is sourced from PubChem (CID 45273231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).