methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide

C14H20BrNO2 — CID 67605642

IUPACmethyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
SMILESBr.COC(=O)C(c1ccccc1)C1CCCCN1
InChIInChI=1S/C14H19NO2.BrH/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;1H
InChIKeyRXLQQWUSBJTNGE-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide

methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide (PubChem CID 67605642) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide.

Molecular Properties

Compound Namemethyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
PubChem CID67605642
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Namemethyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
SMILESBr.COC(=O)C(c1ccccc1)C1CCCCN1
InChIInChI=1S/C14H19NO2.BrH/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;1H
InChIKeyRXLQQWUSBJTNGE-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
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;hydrobromide?
The IUPAC name of methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide (CID 67605642) is methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide.
What is the SMILES notation for methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide?
The canonical SMILES for methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide is Br.COC(=O)C(c1ccccc1)C1CCCCN1.
What is the InChIKey of methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide?
The InChIKey is RXLQQWUSBJTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.BrH/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;1H.
What are the key properties of methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide?
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide has a molecular weight of 314.22 g/mol, XLogP of 2.66, 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;hydrobromide is sourced from PubChem (CID 67605642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).