2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate

C18H27NO5 — CID 155075532

IUPAC2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OC(C)(C)C2CCNCC2)cc(OC)c1O
InChIInChI=1S/C18H27NO5/c1-18(2,13-5-7-19-8-6-13)24-16(20)11-12-9-14(22-3)17(21)15(10-12)23-4/h9-10,13,19,21H,5-8,11H2,1-4H3
InChIKeyQEIQCWMCMQMCDR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.27
Rot. Bonds6

About 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate

2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate (PubChem CID 155075532) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate
PubChem CID155075532
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OC(C)(C)C2CCNCC2)cc(OC)c1O
InChIInChI=1S/C18H27NO5/c1-18(2,13-5-7-19-8-6-13)24-16(20)11-12-9-14(22-3)17(21)15(10-12)23-4/h9-10,13,19,21H,5-8,11H2,1-4H3
InChIKeyQEIQCWMCMQMCDR-UHFFFAOYSA-N
XLogP2.27
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate (CID 155075532) is 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate is COc1cc(CC(=O)OC(C)(C)C2CCNCC2)cc(OC)c1O.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate?
The InChIKey is QEIQCWMCMQMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-18(2,13-5-7-19-8-6-13)24-16(20)11-12-9-14(22-3)17(21)15(10-12)23-4/h9-10,13,19,21H,5-8,11H2,1-4H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate?
2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate has a molecular weight of 337.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 155075532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).