2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine

C14H29N3O — CID 82835718

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine
SMILESCCN1CCN(C(CN)C2CCC(C)O2)CC1C
InChIInChI=1S/C14H29N3O/c1-4-16-7-8-17(10-11(16)2)13(9-15)14-6-5-12(3)18-14/h11-14H,4-10,15H2,1-3H3
InChIKeyOQQIHAFTCJVPFZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds4

About 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine

2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine (PubChem CID 82835718) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine
PubChem CID82835718
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine
SMILESCCN1CCN(C(CN)C2CCC(C)O2)CC1C
InChIInChI=1S/C14H29N3O/c1-4-16-7-8-17(10-11(16)2)13(9-15)14-6-5-12(3)18-14/h11-14H,4-10,15H2,1-3H3
InChIKeyOQQIHAFTCJVPFZ-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine (CID 82835718) is 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine is CCN1CCN(C(CN)C2CCC(C)O2)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is OQQIHAFTCJVPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-16-7-8-17(10-11(16)2)13(9-15)14-6-5-12(3)18-14/h11-14H,4-10,15H2,1-3H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine?
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 82835718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).