4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C17H32N2O2 — CID 79913012

IUPAC4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCN1CCC(N(C)CC2C(=O)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-7-19-10-8-13(9-11-19)18(6)12-14-15(20)17(4,5)21-16(14,2)3/h13-14H,7-12H2,1-6H3
InChIKeyPETYMSXJAMZQNS-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.18
Rot. Bonds4

About 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79913012) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79913012
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCN1CCC(N(C)CC2C(=O)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-7-19-10-8-13(9-11-19)18(6)12-14-15(20)17(4,5)21-16(14,2)3/h13-14H,7-12H2,1-6H3
InChIKeyPETYMSXJAMZQNS-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79913012) is 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CCN1CCC(N(C)CC2C(=O)C(C)(C)OC2(C)C)CC1.
What is the InChIKey of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is PETYMSXJAMZQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-19-10-8-13(9-11-19)18(6)12-14-15(20)17(4,5)21-16(14,2)3/h13-14H,7-12H2,1-6H3.
What are the key properties of 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 296.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79913012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).