2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one

C15H31N3O — CID 55116741

IUPAC2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-15(6-2,12-16)14(19)18-9-7-17(8-10-18)11-13(3)4/h13H,5-12,16H2,1-4H3
InChIKeyWTXRFPURHIGVTI-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one

2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one (PubChem CID 55116741) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
PubChem CID55116741
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-15(6-2,12-16)14(19)18-9-7-17(8-10-18)11-13(3)4/h13H,5-12,16H2,1-4H3
InChIKeyWTXRFPURHIGVTI-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 55116740
2-ethyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]butanethioamide
CID 62775517
3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 65270005
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 62488068
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 60962672
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
(2S)-2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119831584

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one (CID 55116741) is 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one is CCC(CC)(CN)C(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The InChIKey is WTXRFPURHIGVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-15(6-2,12-16)14(19)18-9-7-17(8-10-18)11-13(3)4/h13H,5-12,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 55116741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).