3-(1-phenylpiperidin-4-yl)oxypropanoic acid

C14H19NO3 — CID 174770729

IUPAC3-(1-phenylpiperidin-4-yl)oxypropanoic acid
SMILESO=C(O)CCOC1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c16-14(17)8-11-18-13-6-9-15(10-7-13)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,17)
InChIKeyBFGMGLZZAPDKGY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.15
Rot. Bonds5

About 3-(1-phenylpiperidin-4-yl)oxypropanoic acid

3-(1-phenylpiperidin-4-yl)oxypropanoic acid (PubChem CID 174770729) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(1-phenylpiperidin-4-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-(1-phenylpiperidin-4-yl)oxypropanoic acid
PubChem CID174770729
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(1-phenylpiperidin-4-yl)oxypropanoic acid
SMILESO=C(O)CCOC1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c16-14(17)8-11-18-13-6-9-15(10-7-13)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,17)
InChIKeyBFGMGLZZAPDKGY-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 174723851
3-[1-(3-bromo-2-cyanophenyl)piperidin-4-yl]oxypropanoic acid
CID 114880180
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
CID 65270159
3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid
CID 64830048
3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875477
3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
CID 83152133
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
4-(cyclopropyloxymethyl)-1-phenylpiperidine
CID 10443904
3-[1-(4-cyanopyridazin-3-yl)piperidin-4-yl]oxypropanoic acid
CID 80508688

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpiperidin-4-yl)oxypropanoic acid?
The IUPAC name of 3-(1-phenylpiperidin-4-yl)oxypropanoic acid (CID 174770729) is 3-(1-phenylpiperidin-4-yl)oxypropanoic acid.
What is the SMILES notation for 3-(1-phenylpiperidin-4-yl)oxypropanoic acid?
The canonical SMILES for 3-(1-phenylpiperidin-4-yl)oxypropanoic acid is O=C(O)CCOC1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(1-phenylpiperidin-4-yl)oxypropanoic acid?
The InChIKey is BFGMGLZZAPDKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(17)8-11-18-13-6-9-15(10-7-13)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,17).
What are the key properties of 3-(1-phenylpiperidin-4-yl)oxypropanoic acid?
3-(1-phenylpiperidin-4-yl)oxypropanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpiperidin-4-yl)oxypropanoic acid is sourced from PubChem (CID 174770729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).