methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride

C10H20ClNO2 — CID 3084430

IUPACmethyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride
SMILESCOC(=O)C(C)CN1CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-9(10(12)13-2)8-11-6-4-3-5-7-11;/h9H,3-8H2,1-2H3;1H
InChIKeyBRLMJFOVAVVDEJ-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.70
Rot. Bonds3

About methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride

methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride (PubChem CID 3084430) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride
PubChem CID3084430
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride
SMILESCOC(=O)C(C)CN1CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-9(10(12)13-2)8-11-6-4-3-5-7-11;/h9H,3-8H2,1-2H3;1H
InChIKeyBRLMJFOVAVVDEJ-UHFFFAOYSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride?
The IUPAC name of methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride (CID 3084430) is methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride is COC(=O)C(C)CN1CCCCC1.Cl.
What is the InChIKey of methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride?
The InChIKey is BRLMJFOVAVVDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-9(10(12)13-2)8-11-6-4-3-5-7-11;/h9H,3-8H2,1-2H3;1H.
What are the key properties of methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride?
methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-piperidin-1-ylpropanoate;hydrochloride is sourced from PubChem (CID 3084430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).