2-(4-benzhydryloxypiperidin-1-yl)propanoic acid

C21H25NO3 — CID 19874246

IUPAC2-(4-benzhydryloxypiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-16(21(23)24)22-14-12-19(13-15-22)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,23,24)
InChIKeyLGANKALYDOGIIG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.73
Rot. Bonds6

About 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid

2-(4-benzhydryloxypiperidin-1-yl)propanoic acid (PubChem CID 19874246) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-benzhydryloxypiperidin-1-yl)propanoic acid
PubChem CID19874246
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(4-benzhydryloxypiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-16(21(23)24)22-14-12-19(13-15-22)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,23,24)
InChIKeyLGANKALYDOGIIG-UHFFFAOYSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid (CID 19874246) is 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid is CC(C(=O)O)N1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid?
The InChIKey is LGANKALYDOGIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16(21(23)24)22-14-12-19(13-15-22)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,23,24).
What are the key properties of 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid?
2-(4-benzhydryloxypiperidin-1-yl)propanoic acid has a molecular weight of 339.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydryloxypiperidin-1-yl)propanoic acid is sourced from PubChem (CID 19874246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).