(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate

C14H19NO3 — CID 118541578

IUPAC(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate
SMILESCN1CCCC(OC(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-15-9-5-8-12(10-15)18-14(17)13(16)11-6-3-2-4-7-11/h2-4,6-7,12-13,16H,5,8-10H2,1H3
InChIKeySMZGOQLXXJYRTP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds3

About (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate

(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate (PubChem CID 118541578) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate
PubChem CID118541578
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate
SMILESCN1CCCC(OC(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-15-9-5-8-12(10-15)18-14(17)13(16)11-6-3-2-4-7-11/h2-4,6-7,12-13,16H,5,8-10H2,1H3
InChIKeySMZGOQLXXJYRTP-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate;hydrobromide
CID 5821
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
[(3S)-1-methylpiperidin-3-yl] 2-methylbenzoate
CID 805331
[(3R)-1-methylpiperidin-3-yl] 2-chlorobenzoate
CID 806606
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
CID 67518430
[(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;hydrobromide
CID 169441406
(1-methylpiperidin-3-yl) 2-bromobenzoate
CID 4991215
ethane;(1-methylpyrrolidin-3-yl) 3-methyl-2-phenylhexanoate
CID 143465368
(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
CID 4979373
(1-methylpiperidin-3-yl)methyl 3-hydroxy-2-phenylbutanoate
CID 154127147
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate?
The IUPAC name of (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate (CID 118541578) is (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate.
What is the SMILES notation for (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate?
The canonical SMILES for (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate is CN1CCCC(OC(=O)C(O)c2ccccc2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate?
The InChIKey is SMZGOQLXXJYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-9-5-8-12(10-15)18-14(17)13(16)11-6-3-2-4-7-11/h2-4,6-7,12-13,16H,5,8-10H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate?
(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate has a molecular weight of 249.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 118541578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).