5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one

C17H34N2O2 — CID 138807862

IUPAC5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCCC(CC)(CO)CN(C)CC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-17(7-2,13-20)12-18(5)10-15-8-9-16(21)19(11-15)14(3)4/h14-15,20H,6-13H2,1-5H3
InChIKeyOESBVQRGILICHH-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.36
Rot. Bonds8

About 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one

5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one (PubChem CID 138807862) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
PubChem CID138807862
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCCC(CC)(CO)CN(C)CC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-17(7-2,13-20)12-18(5)10-15-8-9-16(21)19(11-15)14(3)4/h14-15,20H,6-13H2,1-5H3
InChIKeyOESBVQRGILICHH-UHFFFAOYSA-N
XLogP2.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one (CID 138807862) is 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one is CCC(CC)(CO)CN(C)CC1CCC(=O)N(C(C)C)C1.
What is the InChIKey of 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is OESBVQRGILICHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-17(7-2,13-20)12-18(5)10-15-8-9-16(21)19(11-15)14(3)4/h14-15,20H,6-13H2,1-5H3.
What are the key properties of 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one?
5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 298.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 138807862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).