ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride

C10H22Cl2N2O2 — CID 18919424

IUPACethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride
SMILESCCOC(=O)CCN1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-2-14-10(13)5-8-12-6-3-9(11)4-7-12;;/h9H,2-8,11H2,1H3;2*1H
InChIKeyLPMPHQWLASSFCQ-UHFFFAOYSA-N
MW273.20 g/mol
LogP1.21
Rot. Bonds4

About ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride

ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride (PubChem CID 18919424) has the molecular formula C10H22Cl2N2O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride.

Molecular Properties

Compound Nameethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride
PubChem CID18919424
Molecular FormulaC10H22Cl2N2O2
Molecular Weight273.20 g/mol
Exact Mass272.11
IUPAC Nameethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride
SMILESCCOC(=O)CCN1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-2-14-10(13)5-8-12-6-3-9(11)4-7-12;;/h9H,2-8,11H2,1H3;2*1H
InChIKeyLPMPHQWLASSFCQ-UHFFFAOYSA-N
XLogP1.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride?
The IUPAC name of ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride (CID 18919424) is ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride.
What is the SMILES notation for ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride?
The canonical SMILES for ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride is CCOC(=O)CCN1CCC(N)CC1.Cl.Cl.
What is the InChIKey of ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride?
The InChIKey is LPMPHQWLASSFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.2ClH/c1-2-14-10(13)5-8-12-6-3-9(11)4-7-12;;/h9H,2-8,11H2,1H3;2*1H.
What are the key properties of ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride?
ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride has a molecular weight of 273.20 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-aminopiperidin-1-yl)propanoate;dihydrochloride is sourced from PubChem (CID 18919424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).