[1-(2-phenylethyl)piperidin-4-yl] propanoate

C16H23NO2 — CID 91725431

IUPAC[1-(2-phenylethyl)piperidin-4-yl] propanoate
SMILESCCC(=O)OC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-16(18)19-15-9-12-17(13-10-15)11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyGOSSUQADQNIAMB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds5

About [1-(2-phenylethyl)piperidin-4-yl] propanoate

[1-(2-phenylethyl)piperidin-4-yl] propanoate (PubChem CID 91725431) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-(2-phenylethyl)piperidin-4-yl] propanoate.

Molecular Properties

Compound Name[1-(2-phenylethyl)piperidin-4-yl] propanoate
PubChem CID91725431
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[1-(2-phenylethyl)piperidin-4-yl] propanoate
SMILESCCC(=O)OC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-16(18)19-15-9-12-17(13-10-15)11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyGOSSUQADQNIAMB-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)piperidin-4-yl] propanoate?
The IUPAC name of [1-(2-phenylethyl)piperidin-4-yl] propanoate (CID 91725431) is [1-(2-phenylethyl)piperidin-4-yl] propanoate.
What is the SMILES notation for [1-(2-phenylethyl)piperidin-4-yl] propanoate?
The canonical SMILES for [1-(2-phenylethyl)piperidin-4-yl] propanoate is CCC(=O)OC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [1-(2-phenylethyl)piperidin-4-yl] propanoate?
The InChIKey is GOSSUQADQNIAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-16(18)19-15-9-12-17(13-10-15)11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3.
What are the key properties of [1-(2-phenylethyl)piperidin-4-yl] propanoate?
[1-(2-phenylethyl)piperidin-4-yl] propanoate has a molecular weight of 261.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)piperidin-4-yl] propanoate is sourced from PubChem (CID 91725431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).