2-piperidin-1-ylethyl 2,2-diphenylpropanoate

C22H27NO2 — CID 45267219

IUPAC2-piperidin-1-ylethyl 2,2-diphenylpropanoate
SMILESCC(C(=O)OCCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21(24)25-18-17-23-15-9-4-10-16-23/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3
InChIKeyROPNSRJSKHNKQZ-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.02
Rot. Bonds6

About 2-piperidin-1-ylethyl 2,2-diphenylpropanoate

2-piperidin-1-ylethyl 2,2-diphenylpropanoate (PubChem CID 45267219) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2,2-diphenylpropanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2,2-diphenylpropanoate
PubChem CID45267219
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-piperidin-1-ylethyl 2,2-diphenylpropanoate
SMILESCC(C(=O)OCCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21(24)25-18-17-23-15-9-4-10-16-23/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3
InChIKeyROPNSRJSKHNKQZ-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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 2-piperidin-1-ylethyl 2,2-diphenylpropanoate?
The IUPAC name of 2-piperidin-1-ylethyl 2,2-diphenylpropanoate (CID 45267219) is 2-piperidin-1-ylethyl 2,2-diphenylpropanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2,2-diphenylpropanoate?
The canonical SMILES for 2-piperidin-1-ylethyl 2,2-diphenylpropanoate is CC(C(=O)OCCN1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-piperidin-1-ylethyl 2,2-diphenylpropanoate?
The InChIKey is ROPNSRJSKHNKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21(24)25-18-17-23-15-9-4-10-16-23/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3.
What are the key properties of 2-piperidin-1-ylethyl 2,2-diphenylpropanoate?
2-piperidin-1-ylethyl 2,2-diphenylpropanoate has a molecular weight of 337.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2,2-diphenylpropanoate is sourced from PubChem (CID 45267219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).