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

C14H19NO3 — CID 106939316

IUPAC2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COC1CCCNC1
InChIInChI=1S/C14H19NO3/c16-14(17)8-11-4-1-2-5-12(11)10-18-13-6-3-7-15-9-13/h1-2,4-5,13,15H,3,6-10H2,(H,16,17)
InChIKeySIJMQHJGSQEGLX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.58
Rot. Bonds5

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

2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid (PubChem CID 106939316) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
PubChem CID106939316
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COC1CCCNC1
InChIInChI=1S/C14H19NO3/c16-14(17)8-11-4-1-2-5-12(11)10-18-13-6-3-7-15-9-13/h1-2,4-5,13,15H,3,6-10H2,(H,16,17)
InChIKeySIJMQHJGSQEGLX-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
CID 146023940
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
(E)-but-2-enedioic acid;(3R)-3-[[2-(2-fluorophenyl)phenyl]methoxy]pyrrolidine
CID 68927708
2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
CID 107349946
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
CID 62328013
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
3-(16-phenylmethoxyhexadecoxy)piperidine
CID 177224611
(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
CID 66245197

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid (CID 106939316) is 2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid is O=C(O)Cc1ccccc1COC1CCCNC1.
What is the InChIKey of 2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid?
The InChIKey is SIJMQHJGSQEGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(17)8-11-4-1-2-5-12(11)10-18-13-6-3-7-15-9-13/h1-2,4-5,13,15H,3,6-10H2,(H,16,17).
What are the key properties of 2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid?
2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid is sourced from PubChem (CID 106939316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).