2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine

C15H31N3O — CID 62775186

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine
SMILESCCC(C)N1CCN(C(CN)C2CCOCC2)CC1
InChIInChI=1S/C15H31N3O/c1-3-13(2)17-6-8-18(9-7-17)15(12-16)14-4-10-19-11-5-14/h13-15H,3-12,16H2,1-2H3
InChIKeyUEWVLSSPUQATSM-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.16
Rot. Bonds5

About 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine

2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 62775186) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine
PubChem CID62775186
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine
SMILESCCC(C)N1CCN(C(CN)C2CCOCC2)CC1
InChIInChI=1S/C15H31N3O/c1-3-13(2)17-6-8-18(9-7-17)15(12-16)14-4-10-19-11-5-14/h13-15H,3-12,16H2,1-2H3
InChIKeyUEWVLSSPUQATSM-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62387025
2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62384679
2-cyclopropyl-2-(4-ethylpiperazin-1-yl)ethanamine
CID 43654999
2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine
CID 55117502
[3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 55116578
2-(2,4-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanamine
CID 62386327
2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
CID 61222169
1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166511
2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine
CID 65283837
1-butan-2-yl-4-(difluoromethyl)piperidine
CID 127988916
[1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclopropyl]methanamine
CID 115453832
ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate
CID 64541395

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine (CID 62775186) is 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine is CCC(C)N1CCN(C(CN)C2CCOCC2)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is UEWVLSSPUQATSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-13(2)17-6-8-18(9-7-17)15(12-16)14-4-10-19-11-5-14/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine?
2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 269.43 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 62775186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).