2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid

C16H23NO3 — CID 65066046

IUPAC2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
SMILESCC(CN1CCC(OCC(=O)O)CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-13(14-5-3-2-4-6-14)11-17-9-7-15(8-10-17)20-12-16(18)19/h2-6,13,15H,7-12H2,1H3,(H,18,19)
InChIKeyOQMLCKMWCNUMFK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds6

About 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid

2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid (PubChem CID 65066046) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
PubChem CID65066046
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
SMILESCC(CN1CCC(OCC(=O)O)CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-13(14-5-3-2-4-6-14)11-17-9-7-15(8-10-17)20-12-16(18)19/h2-6,13,15H,7-12H2,1H3,(H,18,19)
InChIKeyOQMLCKMWCNUMFK-UHFFFAOYSA-N
XLogP2.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
N-phenylmethoxy-N-[1-(2-phenylpropyl)piperidin-4-yl]acetamide
CID 23324758
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
CID 12802930
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399
2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
CID 63932800
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
2-[1-[1-(furan-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065324
1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine
CID 25115343

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid (CID 65066046) is 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid is CC(CN1CCC(OCC(=O)O)CC1)c1ccccc1.
What is the InChIKey of 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is OQMLCKMWCNUMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(14-5-3-2-4-6-14)11-17-9-7-15(8-10-17)20-12-16(18)19/h2-6,13,15H,7-12H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65066046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).