2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid

C14H19NO3 — CID 67505976

IUPAC2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
SMILESCC1(O)CCN(C(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c1-14(18)7-9-15(10-8-14)12(13(16)17)11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3,(H,16,17)
InChIKeyLJSPOSNYQCARGT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.66
Rot. Bonds3

About 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid

2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid (PubChem CID 67505976) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
PubChem CID67505976
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
SMILESCC1(O)CCN(C(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c1-14(18)7-9-15(10-8-14)12(13(16)17)11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3,(H,16,17)
InChIKeyLJSPOSNYQCARGT-UHFFFAOYSA-N
XLogP1.66
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid
CID 79687237
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166218963
4-methyl-1-(1-phenylethyl)azepan-4-ol
CID 107407753
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol
CID 103355450
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 80702099
(2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid
CID 97189870
(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 97191995
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide
CID 107458803

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid (CID 67505976) is 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid is CC1(O)CCN(C(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid?
The InChIKey is LJSPOSNYQCARGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(18)7-9-15(10-8-14)12(13(16)17)11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid?
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 67505976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).