1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate

C17H25NO3 — CID 2913385

IUPAC1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-3-20-16-9-7-15(8-10-16)17(19)21-14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
InChIKeyMMLUVUAFMNHMLL-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.12
Rot. Bonds6

About 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate

1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate (PubChem CID 2913385) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate
PubChem CID2913385
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-3-20-16-9-7-15(8-10-16)17(19)21-14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
InChIKeyMMLUVUAFMNHMLL-UHFFFAOYSA-N
XLogP3.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate (CID 2913385) is 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate is CCOc1ccc(C(=O)OC(C)CN2CCCCC2)cc1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate?
The InChIKey is MMLUVUAFMNHMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-16-9-7-15(8-10-16)17(19)21-14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate?
1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate has a molecular weight of 291.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate is sourced from PubChem (CID 2913385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).