methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride

C10H20ClNO2 — CID 57421202

IUPACmethyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)C1CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,9(12)13-3)8-4-6-11-7-5-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeyXJHHEUNCVXNNNO-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.61
Rot. Bonds2

About methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride

methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride (PubChem CID 57421202) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride
PubChem CID57421202
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)C1CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,9(12)13-3)8-4-6-11-7-5-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeyXJHHEUNCVXNNNO-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride?
The IUPAC name of methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride (CID 57421202) is methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride is COC(=O)C(C)(C)C1CCNCC1.Cl.
What is the InChIKey of methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride?
The InChIKey is XJHHEUNCVXNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(2,9(12)13-3)8-4-6-11-7-5-8;/h8,11H,4-7H2,1-3H3;1H.
What are the key properties of methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride?
methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-piperidin-4-ylpropanoate;hydrochloride is sourced from PubChem (CID 57421202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).