methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride

C14H20ClNO2 — CID 9280

IUPACmethyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1.Cl
InChIInChI=1S/C14H19NO2.ClH/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
InChIKeyJUMYIBMBTDDLNG-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.51
Rot. Bonds3

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

methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride (PubChem CID 9280) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride
PubChem CID9280
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1.Cl
InChIInChI=1S/C14H19NO2.ClH/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
InChIKeyJUMYIBMBTDDLNG-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Ethylphenidate
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3,4-Dichloromethylphenidate
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2-Piperidineacetic acid, alpha-phenyl-
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Tilidine Hydrochloride
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4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester, hydrochloride (1:1)
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L-threo-Methylphenidate hydrochloride
CID 45259401

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride?
The IUPAC name of methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride (CID 9280) is methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride.
What is the SMILES notation for methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride?
The canonical SMILES for methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride is COC(=O)C(c1ccccc1)C1CCCCN1.Cl.
What is the InChIKey of methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride?
The InChIKey is JUMYIBMBTDDLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/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;hydrochloride?
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.51, 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;hydrochloride is sourced from PubChem (CID 9280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).