methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate

C14H19NO3 — CID 138501092

IUPACmethyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)C(O)(c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C14H19NO3/c1-18-13(16)14(17,11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12,15,17H,5-6,9-10H2,1H3/t12-,14?/m1/s1
InChIKeyJRQKPPXVFNKTPQ-PUODRLBUSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds3

About methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate

methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 138501092) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
PubChem CID138501092
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)C(O)(c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C14H19NO3/c1-18-13(16)14(17,11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12,15,17H,5-6,9-10H2,1H3/t12-,14?/m1/s1
InChIKeyJRQKPPXVFNKTPQ-PUODRLBUSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
cyclohexyl-phenyl-piperidin-2-ylmethanol
CID 23856895
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
cyclohexyl-phenyl-pyrrolidin-2-ylmethanol
CID 166041148
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol
CID 3064310
2-[difluoro(phenyl)methyl]azepane
CID 105483060
azepan-2-yl(diphenyl)methanamine
CID 69019093
1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate (CID 138501092) is methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate is COC(=O)C(O)(c1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is JRQKPPXVFNKTPQ-PUODRLBUSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13(16)14(17,11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12,15,17H,5-6,9-10H2,1H3/t12-,14?/m1/s1.
What are the key properties of methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 138501092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).