methyl 2-phenyl-2-piperidin-2-ylacetate

C14H19NO2 — CID 4158

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IUPACmethyl 2-phenyl-2-piperidin-2-ylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
InChIKeyDUGOZIWVEXMGBE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.09
Rot. Bonds3

About methyl 2-phenyl-2-piperidin-2-ylacetate

methyl 2-phenyl-2-piperidin-2-ylacetate (PubChem CID 4158) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-phenyl-2-piperidin-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-piperidin-2-ylacetate
PubChem CID4158
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-phenyl-2-piperidin-2-ylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
InChIKeyDUGOZIWVEXMGBE-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 10587632
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52943877
methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
CID 23928172
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide
CID 11085277
methyl (2S)-2-(3-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45259428
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259420
methyl (2R)-2-(3,5-dimethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52946039
methyl (2R)-2-(4-nitrophenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52948756
methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate
CID 10768332
methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
CID 10490732
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-piperidin-2-ylacetate?
The IUPAC name of methyl 2-phenyl-2-piperidin-2-ylacetate (CID 4158) is methyl 2-phenyl-2-piperidin-2-ylacetate.
What is the SMILES notation for methyl 2-phenyl-2-piperidin-2-ylacetate?
The canonical SMILES for methyl 2-phenyl-2-piperidin-2-ylacetate is COC(=O)C(c1ccccc1)C1CCCCN1.
What is the InChIKey of methyl 2-phenyl-2-piperidin-2-ylacetate?
The InChIKey is DUGOZIWVEXMGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3.
What are the key properties of methyl 2-phenyl-2-piperidin-2-ylacetate?
methyl 2-phenyl-2-piperidin-2-ylacetate has a molecular weight of 233.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-piperidin-2-ylacetate is sourced from PubChem (CID 4158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).