(1-ethylpiperidin-4-yl) propanoate;hydrochloride

C10H20ClNO2 — CID 24843022

IUPAC(1-ethylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCC(=O)OC1CCN(CC)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-10(12)13-9-5-7-11(4-2)8-6-9;/h9H,3-8H2,1-2H3;1H
InChIKeyBFCJWBUUZKATCN-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.85
Rot. Bonds3

About (1-ethylpiperidin-4-yl) propanoate;hydrochloride

(1-ethylpiperidin-4-yl) propanoate;hydrochloride (PubChem CID 24843022) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl) propanoate;hydrochloride.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl) propanoate;hydrochloride
PubChem CID24843022
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name(1-ethylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCC(=O)OC1CCN(CC)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-10(12)13-9-5-7-11(4-2)8-6-9;/h9H,3-8H2,1-2H3;1H
InChIKeyBFCJWBUUZKATCN-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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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl) propanoate;hydrochloride?
The IUPAC name of (1-ethylpiperidin-4-yl) propanoate;hydrochloride (CID 24843022) is (1-ethylpiperidin-4-yl) propanoate;hydrochloride.
What is the SMILES notation for (1-ethylpiperidin-4-yl) propanoate;hydrochloride?
The canonical SMILES for (1-ethylpiperidin-4-yl) propanoate;hydrochloride is CCC(=O)OC1CCN(CC)CC1.Cl.
What is the InChIKey of (1-ethylpiperidin-4-yl) propanoate;hydrochloride?
The InChIKey is BFCJWBUUZKATCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-3-10(12)13-9-5-7-11(4-2)8-6-9;/h9H,3-8H2,1-2H3;1H.
What are the key properties of (1-ethylpiperidin-4-yl) propanoate;hydrochloride?
(1-ethylpiperidin-4-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 (1-ethylpiperidin-4-yl) propanoate;hydrochloride is sourced from PubChem (CID 24843022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).