4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid

C14H19NO3 — CID 94751423

IUPAC4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCC[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H19NO3/c16-14(17)11-4-6-13(7-5-11)18-10-8-12-3-1-2-9-15-12/h4-7,12,15H,1-3,8-10H2,(H,16,17)/t12-/m0/s1
InChIKeyOVESMCXUNWFSGO-LBPRGKRZSA-N
MW249.31 g/mol
LogP2.30
Rot. Bonds5

About 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid

4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid (PubChem CID 94751423) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
PubChem CID94751423
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCC[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H19NO3/c16-14(17)11-4-6-13(7-5-11)18-10-8-12-3-1-2-9-15-12/h4-7,12,15H,1-3,8-10H2,(H,16,17)/t12-/m0/s1
InChIKeyOVESMCXUNWFSGO-LBPRGKRZSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid 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

4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
CID 70091402
benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
CID 56829802
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
4-methoxy-N-(4-methoxyphenyl)-N-[4-(2-piperidin-2-ylethoxy)phenyl]benzamide
CID 69172491
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid (CID 94751423) is 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid is O=C(O)c1ccc(OCC[C@@H]2CCCCN2)cc1.
What is the InChIKey of 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid?
The InChIKey is OVESMCXUNWFSGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(17)11-4-6-13(7-5-11)18-10-8-12-3-1-2-9-15-12/h4-7,12,15H,1-3,8-10H2,(H,16,17)/t12-/m0/s1.
What are the key properties of 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid?
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid is sourced from PubChem (CID 94751423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).