ethyl 4-[(3S)-piperidin-3-yl]benzoate

C14H19NO2 — CID 176561746

IUPACethyl 4-[(3S)-piperidin-3-yl]benzoate
SMILESCCOC(=O)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)12-7-5-11(6-8-12)13-4-3-9-15-10-13/h5-8,13,15H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyUGHPCBUMEPQBJR-CYBMUJFWSA-N
MW233.31 g/mol
LogP2.33
Rot. Bonds3

About ethyl 4-[(3S)-piperidin-3-yl]benzoate

ethyl 4-[(3S)-piperidin-3-yl]benzoate (PubChem CID 176561746) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 4-[(3S)-piperidin-3-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3S)-piperidin-3-yl]benzoate
PubChem CID176561746
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 4-[(3S)-piperidin-3-yl]benzoate
SMILESCCOC(=O)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)12-7-5-11(6-8-12)13-4-3-9-15-10-13/h5-8,13,15H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyUGHPCBUMEPQBJR-CYBMUJFWSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(3S)-piperidin-3-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373
ethyl 4-pyrrolidin-2-ylbenzoate
CID 146447328
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
ethyl 4-(piperidin-3-ylsulfanylmethyl)benzoate
CID 84754988
ethyl 4-(3-aminocyclohexyl)benzoate;hydrochloride
CID 171338367
(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl 2-methyl-5-[(3S)-piperidin-3-yl]benzoate
CID 86593888
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3S)-piperidin-3-yl]benzoate?
The IUPAC name of ethyl 4-[(3S)-piperidin-3-yl]benzoate (CID 176561746) is ethyl 4-[(3S)-piperidin-3-yl]benzoate.
What is the SMILES notation for ethyl 4-[(3S)-piperidin-3-yl]benzoate?
The canonical SMILES for ethyl 4-[(3S)-piperidin-3-yl]benzoate is CCOC(=O)c1ccc([C@@H]2CCCNC2)cc1.
What is the InChIKey of ethyl 4-[(3S)-piperidin-3-yl]benzoate?
The InChIKey is UGHPCBUMEPQBJR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-14(16)12-7-5-11(6-8-12)13-4-3-9-15-10-13/h5-8,13,15H,2-4,9-10H2,1H3/t13-/m1/s1.
What are the key properties of ethyl 4-[(3S)-piperidin-3-yl]benzoate?
ethyl 4-[(3S)-piperidin-3-yl]benzoate has a molecular weight of 233.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3S)-piperidin-3-yl]benzoate is sourced from PubChem (CID 176561746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).