ethyl 3-(2-piperidin-4-ylphenyl)propanoate

C16H23NO2 — CID 67111432

IUPACethyl 3-(2-piperidin-4-ylphenyl)propanoate
SMILESCCOC(=O)CCc1ccccc1C1CCNCC1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)8-7-13-5-3-4-6-15(13)14-9-11-17-12-10-14/h3-6,14,17H,2,7-12H2,1H3
InChIKeyDAZWNYREZXIODI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds5

About ethyl 3-(2-piperidin-4-ylphenyl)propanoate

ethyl 3-(2-piperidin-4-ylphenyl)propanoate (PubChem CID 67111432) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 3-(2-piperidin-4-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-piperidin-4-ylphenyl)propanoate
PubChem CID67111432
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 3-(2-piperidin-4-ylphenyl)propanoate
SMILESCCOC(=O)CCc1ccccc1C1CCNCC1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)8-7-13-5-3-4-6-15(13)14-9-11-17-12-10-14/h3-6,14,17H,2,7-12H2,1H3
InChIKeyDAZWNYREZXIODI-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methylphenidate
CID 4158
Focalin
CID 154100
Methylphenidate Hydrochloride
CID 9280
Dexmethylphenidate
CID 154101
Normeperidine
CID 32414
Ethylphenidate
CID 3080846
4-Fluoromethylphenidate
CID 52944002
4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester, hydrochloride (1:1)
CID 53444519
L-Threo-methylphenidate
CID 10657292
L-threo-Methylphenidate hydrochloride
CID 45259401
Pentapiperide
CID 110942
Methyl (R)-phenyl((S)-piperidin-2-yl)acetate
CID 3040629

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-piperidin-4-ylphenyl)propanoate?
The IUPAC name of ethyl 3-(2-piperidin-4-ylphenyl)propanoate (CID 67111432) is ethyl 3-(2-piperidin-4-ylphenyl)propanoate.
What is the SMILES notation for ethyl 3-(2-piperidin-4-ylphenyl)propanoate?
The canonical SMILES for ethyl 3-(2-piperidin-4-ylphenyl)propanoate is CCOC(=O)CCc1ccccc1C1CCNCC1.
What is the InChIKey of ethyl 3-(2-piperidin-4-ylphenyl)propanoate?
The InChIKey is DAZWNYREZXIODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-16(18)8-7-13-5-3-4-6-15(13)14-9-11-17-12-10-14/h3-6,14,17H,2,7-12H2,1H3.
What are the key properties of ethyl 3-(2-piperidin-4-ylphenyl)propanoate?
ethyl 3-(2-piperidin-4-ylphenyl)propanoate has a molecular weight of 261.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-piperidin-4-ylphenyl)propanoate is sourced from PubChem (CID 67111432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).