ethyl 3-piperidin-4-ylpropanoate;hydrochloride

C10H20ClNO2 — CID 23062703

IUPACethyl 3-piperidin-4-ylpropanoate;hydrochloride
SMILESCCOC(=O)CCC1CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-13-10(12)4-3-9-5-7-11-8-6-9;/h9,11H,2-8H2,1H3;1H
InChIKeyQUXBQANXXKTODS-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.75
Rot. Bonds4

About ethyl 3-piperidin-4-ylpropanoate;hydrochloride

ethyl 3-piperidin-4-ylpropanoate;hydrochloride (PubChem CID 23062703) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is ethyl 3-piperidin-4-ylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-piperidin-4-ylpropanoate;hydrochloride
PubChem CID23062703
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Nameethyl 3-piperidin-4-ylpropanoate;hydrochloride
SMILESCCOC(=O)CCC1CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-13-10(12)4-3-9-5-7-11-8-6-9;/h9,11H,2-8H2,1H3;1H
InChIKeyQUXBQANXXKTODS-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
ethyl 4-piperidin-4-ylbutanoate
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propanoyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 174378538
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 54603666
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride
CID 131858012
ethyl 3-(piperidin-4-ylmethylamino)propanoate
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2-piperidin-4-ylethyl butanoate
CID 174737441
ethyl 3-(piperidin-4-ylmethoxy)propanoate
CID 83212316
ethyl 4-(piperidin-4-ylmethoxy)butanoate
CID 71077908
2-piperidin-4-ylethyl propanoate
CID 53408774
diethyl 2-(2-piperidin-4-ylethyl)propanedioate
CID 57155204
ethyl 2-[[(3S)-pyrrolidin-3-yl]methylamino]acetate;dihydrochloride
CID 86598225

Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperidin-4-ylpropanoate;hydrochloride?
The IUPAC name of ethyl 3-piperidin-4-ylpropanoate;hydrochloride (CID 23062703) is ethyl 3-piperidin-4-ylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-piperidin-4-ylpropanoate;hydrochloride?
The canonical SMILES for ethyl 3-piperidin-4-ylpropanoate;hydrochloride is CCOC(=O)CCC1CCNCC1.Cl.
What is the InChIKey of ethyl 3-piperidin-4-ylpropanoate;hydrochloride?
The InChIKey is QUXBQANXXKTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)4-3-9-5-7-11-8-6-9;/h9,11H,2-8H2,1H3;1H.
What are the key properties of ethyl 3-piperidin-4-ylpropanoate;hydrochloride?
ethyl 3-piperidin-4-ylpropanoate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-piperidin-4-ylpropanoate;hydrochloride is sourced from PubChem (CID 23062703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).