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

C22H27NO2 — CID 45273232

IUPAC(1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate
SMILESCN1CCC(COC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c1-22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21(24)25-17-18-13-15-23(2)16-14-18/h3-12,18H,13-17H2,1-2H3
InChIKeyFNPJDDUCSPBHON-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.88
Rot. Bonds5

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

(1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate (PubChem CID 45273232) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate
PubChem CID45273232
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate
SMILESCN1CCC(COC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c1-22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21(24)25-17-18-13-15-23(2)16-14-18/h3-12,18H,13-17H2,1-2H3
InChIKeyFNPJDDUCSPBHON-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate (CID 45273232) is (1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate is CN1CCC(COC(=O)C(C)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate?
The InChIKey is FNPJDDUCSPBHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21(24)25-17-18-13-15-23(2)16-14-18/h3-12,18H,13-17H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate?
(1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate has a molecular weight of 337.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate is sourced from PubChem (CID 45273232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).