1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate

C17H25NO2 — CID 2930161

IUPAC1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate
SMILESCC(CN1CCCCC1)OC(=O)CCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-9-16/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3
InChIKeyZGFIYFUXTFLERB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.04
Rot. Bonds6

About 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate

1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate (PubChem CID 2930161) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate
PubChem CID2930161
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate
SMILESCC(CN1CCCCC1)OC(=O)CCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-9-16/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3
InChIKeyZGFIYFUXTFLERB-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate (CID 2930161) is 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate is CC(CN1CCCCC1)OC(=O)CCc1ccccc1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate?
The InChIKey is ZGFIYFUXTFLERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-9-16/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate?
1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate has a molecular weight of 275.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 3-phenylpropanoate is sourced from PubChem (CID 2930161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).