3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one

C12H22N2O2 — CID 63847767

IUPAC3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one
SMILESCCNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C12H22N2O2/c1-2-13-8-10-4-3-6-14(9-10)11-5-7-16-12(11)15/h10-11,13H,2-9H2,1H3
InChIKeySELUHBCZYQUFDG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds4

About 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one

3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one (PubChem CID 63847767) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one
PubChem CID63847767
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one
SMILESCCNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C12H22N2O2/c1-2-13-8-10-4-3-6-14(9-10)11-5-7-16-12(11)15/h10-11,13H,2-9H2,1H3
InChIKeySELUHBCZYQUFDG-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one (CID 63847767) is 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one is CCNCC1CCCN(C2CCOC2=O)C1.
What is the InChIKey of 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one?
The InChIKey is SELUHBCZYQUFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-13-8-10-4-3-6-14(9-10)11-5-7-16-12(11)15/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one?
3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylaminomethyl)piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 63847767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).