2-(3-piperidin-3-ylphenoxy)acetic acid

C13H17NO3 — CID 115040761

IUPAC2-(3-piperidin-3-ylphenoxy)acetic acid
SMILESO=C(O)COc1cccc(C2CCCNC2)c1
InChIInChI=1S/C13H17NO3/c15-13(16)9-17-12-5-1-3-10(7-12)11-4-2-6-14-8-11/h1,3,5,7,11,14H,2,4,6,8-9H2,(H,15,16)
InChIKeyTVIKDJCFVZXWFL-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.62
Rot. Bonds4

About 2-(3-piperidin-3-ylphenoxy)acetic acid

2-(3-piperidin-3-ylphenoxy)acetic acid (PubChem CID 115040761) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(3-piperidin-3-ylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-piperidin-3-ylphenoxy)acetic acid
PubChem CID115040761
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(3-piperidin-3-ylphenoxy)acetic acid
SMILESO=C(O)COc1cccc(C2CCCNC2)c1
InChIInChI=1S/C13H17NO3/c15-13(16)9-17-12-5-1-3-10(7-12)11-4-2-6-14-8-11/h1,3,5,7,11,14H,2,4,6,8-9H2,(H,15,16)
InChIKeyTVIKDJCFVZXWFL-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
3-[3-(2-fluoroethoxy)phenyl]piperidine
CID 84688599
2-(4-pyrrolidin-3-ylphenoxy)acetic acid
CID 115032579
(3-piperidin-3-ylphenoxy)phosphane
CID 144633040
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
2-(4-piperidin-3-ylphenoxy)acetamide
CID 117100144
1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
CID 124564227
prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate
CID 69012076
2,3-dihydroxybutanedioic acid;methyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate
CID 68882716
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine
CID 84702599

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-3-ylphenoxy)acetic acid?
The IUPAC name of 2-(3-piperidin-3-ylphenoxy)acetic acid (CID 115040761) is 2-(3-piperidin-3-ylphenoxy)acetic acid.
What is the SMILES notation for 2-(3-piperidin-3-ylphenoxy)acetic acid?
The canonical SMILES for 2-(3-piperidin-3-ylphenoxy)acetic acid is O=C(O)COc1cccc(C2CCCNC2)c1.
What is the InChIKey of 2-(3-piperidin-3-ylphenoxy)acetic acid?
The InChIKey is TVIKDJCFVZXWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)9-17-12-5-1-3-10(7-12)11-4-2-6-14-8-11/h1,3,5,7,11,14H,2,4,6,8-9H2,(H,15,16).
What are the key properties of 2-(3-piperidin-3-ylphenoxy)acetic acid?
2-(3-piperidin-3-ylphenoxy)acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-3-ylphenoxy)acetic acid is sourced from PubChem (CID 115040761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).