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

C23H29NO2 — CID 45268084

IUPAC(1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate
SMILESCCN1CCC(COC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-3-24-16-14-19(15-17-24)18-26-22(25)23(2,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3
InChIKeyNBWAPMDXYZPEQG-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.27
Rot. Bonds6

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

(1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate (PubChem CID 45268084) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate
PubChem CID45268084
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate
SMILESCCN1CCC(COC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-3-24-16-14-19(15-17-24)18-26-22(25)23(2,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3
InChIKeyNBWAPMDXYZPEQG-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.27
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)methyl 2,2-diphenylpropanoate?
The IUPAC name of (1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate (CID 45268084) is (1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate.
What is the SMILES notation for (1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate?
The canonical SMILES for (1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate is CCN1CCC(COC(=O)C(C)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate?
The InChIKey is NBWAPMDXYZPEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-24-16-14-19(15-17-24)18-26-22(25)23(2,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3.
What are the key properties of (1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate?
(1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate has a molecular weight of 351.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate is sourced from PubChem (CID 45268084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).