methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride

C13H20ClN3O2 — CID 20833838

IUPACmethyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-18-13(17)5-7-15-8-10-16(11-9-15)12-4-2-3-6-14-12;/h2-4,6H,5,7-11H2,1H3;1H
InChIKeyWEMIOYJJHZYYTG-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.19
Rot. Bonds4

About methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride

methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride (PubChem CID 20833838) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride
PubChem CID20833838
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Namemethyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-18-13(17)5-7-15-8-10-16(11-9-15)12-4-2-3-6-14-12;/h2-4,6H,5,7-11H2,1H3;1H
InChIKeyWEMIOYJJHZYYTG-UHFFFAOYSA-N
XLogP1.19
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride (CID 20833838) is methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride is COC(=O)CCN1CCN(c2ccccn2)CC1.Cl.
What is the InChIKey of methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride?
The InChIKey is WEMIOYJJHZYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-18-13(17)5-7-15-8-10-16(11-9-15)12-4-2-3-6-14-12;/h2-4,6H,5,7-11H2,1H3;1H.
What are the key properties of methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride?
methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-pyridin-2-ylpiperazin-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 20833838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).