2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid

C14H19NO3 — CID 170886815

IUPAC2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCC2CCCNC2)c1
InChIInChI=1S/C14H19NO3/c16-14(17)8-11-3-1-5-13(7-11)18-10-12-4-2-6-15-9-12/h1,3,5,7,12,15H,2,4,6,8-10H2,(H,16,17)
InChIKeyYQSGTYZMRVCSSB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds5

About 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid

2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid (PubChem CID 170886815) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
PubChem CID170886815
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCC2CCCNC2)c1
InChIInChI=1S/C14H19NO3/c16-14(17)8-11-3-1-5-13(7-11)18-10-12-4-2-6-15-9-12/h1,3,5,7,12,15H,2,4,6,8-10H2,(H,16,17)
InChIKeyYQSGTYZMRVCSSB-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic 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

2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
CID 144899288
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperidin-3-ylethyl)acetamide
CID 119556601
2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid
CID 170886806

Frequently Asked Questions

What is the IUPAC name of 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid (CID 170886815) is 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid is O=C(O)Cc1cccc(OCC2CCCNC2)c1.
What is the InChIKey of 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid?
The InChIKey is YQSGTYZMRVCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(17)8-11-3-1-5-13(7-11)18-10-12-4-2-6-15-9-12/h1,3,5,7,12,15H,2,4,6,8-10H2,(H,16,17).
What are the key properties of 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid?
2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 170886815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).