ethyl 3-piperidin-3-ylpropanoate;hydrochloride

C10H20ClNO2 — CID 71756985

IUPACethyl 3-piperidin-3-ylpropanoate;hydrochloride
SMILESCCOC(=O)CCC1CCCNC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-13-10(12)6-5-9-4-3-7-11-8-9;/h9,11H,2-8H2,1H3;1H
InChIKeyBJRCKVQDAJMIGE-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.75
Rot. Bonds4

About ethyl 3-piperidin-3-ylpropanoate;hydrochloride

ethyl 3-piperidin-3-ylpropanoate;hydrochloride (PubChem CID 71756985) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is ethyl 3-piperidin-3-ylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-piperidin-3-ylpropanoate;hydrochloride
PubChem CID71756985
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Nameethyl 3-piperidin-3-ylpropanoate;hydrochloride
SMILESCCOC(=O)CCC1CCCNC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-13-10(12)6-5-9-4-3-7-11-8-9;/h9,11H,2-8H2,1H3;1H
InChIKeyBJRCKVQDAJMIGE-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 2-(piperidin-4-yl)acetate
CID 2760465
Methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate
CID 73356690
Ethyl 2-(piperidin-3-yl)acetate
CID 2760464
ethyl 2-[(3R)-piperidin-3-yl]acetate
CID 7161133
3-(3-Piperidinyl)propanoic acid hydrochloride
CID 12514714
Methyl (piperidin-4-yl)acetate--hydrogen chloride (1/1)
CID 18423605
Ethyl 2-(piperidin-3-yl)acetate hydrochloride
CID 44118456
Ethyl (3R)-piperidine-3-carboxylate--hydrogen chloride (1/1)
CID 44828658
Piperidin-4-yl-acetic acid ethyl ester hydrochloride
CID 45358839
Methyl 3-(piperidin-3-yl)propanoate hydrochloride
CID 47000746
Ethyl 2-methyl-2-(piperidin-4-yl)propanoate hydrochloride
CID 49759623
Methyl 3-(piperidin-4-yl)propanoate hydrochloride
CID 49761244

Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperidin-3-ylpropanoate;hydrochloride?
The IUPAC name of ethyl 3-piperidin-3-ylpropanoate;hydrochloride (CID 71756985) is ethyl 3-piperidin-3-ylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-piperidin-3-ylpropanoate;hydrochloride?
The canonical SMILES for ethyl 3-piperidin-3-ylpropanoate;hydrochloride is CCOC(=O)CCC1CCCNC1.Cl.
What is the InChIKey of ethyl 3-piperidin-3-ylpropanoate;hydrochloride?
The InChIKey is BJRCKVQDAJMIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)6-5-9-4-3-7-11-8-9;/h9,11H,2-8H2,1H3;1H.
What are the key properties of ethyl 3-piperidin-3-ylpropanoate;hydrochloride?
ethyl 3-piperidin-3-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-3-ylpropanoate;hydrochloride is sourced from PubChem (CID 71756985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).