3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride

C9H18Cl2N2O2 — CID 71756967

IUPAC3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride
SMILESCl.Cl.NC1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C9H16N2O2.2ClH/c10-7-1-4-11(5-2-7)8-3-6-13-9(8)12;;/h7-8H,1-6,10H2;2*1H
InChIKeyAFUKRTSVFPHEND-UHFFFAOYSA-N
MW257.16 g/mol
LogP0.57
Rot. Bonds1

About 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride

3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride (PubChem CID 71756967) has the molecular formula C9H18Cl2N2O2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride
PubChem CID71756967
Molecular FormulaC9H18Cl2N2O2
Molecular Weight257.16 g/mol
Exact Mass256.07
IUPAC Name3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride
SMILESCl.Cl.NC1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C9H16N2O2.2ClH/c10-7-1-4-11(5-2-7)8-3-6-13-9(8)12;;/h7-8H,1-6,10H2;2*1H
InChIKeyAFUKRTSVFPHEND-UHFFFAOYSA-N
XLogP0.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride?
The IUPAC name of 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride (CID 71756967) is 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride is Cl.Cl.NC1CCN(C2CCOC2=O)CC1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride?
The InChIKey is AFUKRTSVFPHEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.2ClH/c10-7-1-4-11(5-2-7)8-3-6-13-9(8)12;;/h7-8H,1-6,10H2;2*1H.
What are the key properties of 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride?
3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride has a molecular weight of 257.16 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)oxolan-2-one;dihydrochloride is sourced from PubChem (CID 71756967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).