methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride

C10H20ClNO2 — CID 20833836

IUPACmethyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCCCC1C.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-9-5-3-4-7-11(9)8-6-10(12)13-2;/h9H,3-8H2,1-2H3;1H
InChIKeyZHWQTFZPDHUMOL-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.85
Rot. Bonds3

About methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride

methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride (PubChem CID 20833836) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride
PubChem CID20833836
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCCCC1C.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-9-5-3-4-7-11(9)8-6-10(12)13-2;/h9H,3-8H2,1-2H3;1H
InChIKeyZHWQTFZPDHUMOL-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinepropanoic acid, ethyl ester
CID 88183
Methyl 3-piperidin-1-ylpropanoate
CID 566577
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride (1:1)
CID 3084430
Methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
Methyl alpha-methyl-1-piperidinepropanoate
CID 107234
Methyl 3-(2-methylazepan-1-yl)propanoate--hydrogen chloride (1/1)
CID 20846518
Methyl 3-(4-oxopiperidin-1-yl)propanoate
CID 18187970
3-(2-Methylpiperidin-1-yl)propanoic acid
CID 3157941
Methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 15564945
Ethyl 3-(1-methylpiperidin-1-ium-1-yl)propanoate iodide
CID 24189268
1-(2-Methylpiperidin-1-yl)ethyl acetate
CID 76330275
Methyl 4-(2-methylpiperidin-1-yl)butanoate
CID 44856

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride (CID 20833836) is methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride is COC(=O)CCN1CCCCC1C.Cl.
What is the InChIKey of methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride?
The InChIKey is ZHWQTFZPDHUMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-9-5-3-4-7-11(9)8-6-10(12)13-2;/h9H,3-8H2,1-2H3;1H.
What are the key properties of methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride?
methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylpiperidin-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 20833836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).