methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate

C17H23NO2 — CID 170366555

IUPACmethyl 4-(4-cyclobutylpiperidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2CC(C3CCC3)CCN2)cc1
InChIInChI=1S/C17H23NO2/c1-20-17(19)14-7-5-13(6-8-14)16-11-15(9-10-18-16)12-3-2-4-12/h5-8,12,15-16,18H,2-4,9-11H2,1H3
InChIKeyRVYRNBKRGMEJQK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.31
Rot. Bonds3

About methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate

methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate (PubChem CID 170366555) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-cyclobutylpiperidin-2-yl)benzoate
PubChem CID170366555
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namemethyl 4-(4-cyclobutylpiperidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2CC(C3CCC3)CCN2)cc1
InChIInChI=1S/C17H23NO2/c1-20-17(19)14-7-5-13(6-8-14)16-11-15(9-10-18-16)12-3-2-4-12/h5-8,12,15-16,18H,2-4,9-11H2,1H3
InChIKeyRVYRNBKRGMEJQK-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate?
The IUPAC name of methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate (CID 170366555) is methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate?
The canonical SMILES for methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate is COC(=O)c1ccc(C2CC(C3CCC3)CCN2)cc1.
What is the InChIKey of methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate?
The InChIKey is RVYRNBKRGMEJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-17(19)14-7-5-13(6-8-14)16-11-15(9-10-18-16)12-3-2-4-12/h5-8,12,15-16,18H,2-4,9-11H2,1H3.
What are the key properties of methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate?
methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate has a molecular weight of 273.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-cyclobutylpiperidin-2-yl)benzoate is sourced from PubChem (CID 170366555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).