methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate

C18H27NO2 — CID 59825361

IUPACmethyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-18(2,3)19-13-9-8-12-15(19)16(17(20)21-4)14-10-6-5-7-11-14/h5-7,10-11,15-16H,8-9,12-13H2,1-4H3
InChIKeyCFCOAIFPZLGAIY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.60
Rot. Bonds3

About methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate

methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate (PubChem CID 59825361) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
PubChem CID59825361
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namemethyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-18(2,3)19-13-9-8-12-15(19)16(17(20)21-4)14-10-6-5-7-11-14/h5-7,10-11,15-16H,8-9,12-13H2,1-4H3
InChIKeyCFCOAIFPZLGAIY-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate?
The IUPAC name of methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate (CID 59825361) is methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate?
The canonical SMILES for methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate is COC(=O)C(c1ccccc1)C1CCCCN1C(C)(C)C.
What is the InChIKey of methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate?
The InChIKey is CFCOAIFPZLGAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)19-13-9-8-12-15(19)16(17(20)21-4)14-10-6-5-7-11-14/h5-7,10-11,15-16H,8-9,12-13H2,1-4H3.
What are the key properties of methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate?
methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate has a molecular weight of 289.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate is sourced from PubChem (CID 59825361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).