2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone

C10H21N3O — CID 2756453

IUPAC2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CN1CCN(C(=O)CN)CC1
InChIInChI=1S/C10H21N3O/c1-9(2)8-12-3-5-13(6-4-12)10(14)7-11/h9H,3-8,11H2,1-2H3
InChIKeyQFECRRKAOIRZFY-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.25
Rot. Bonds3

About 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone

2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 2756453) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID2756453
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CN1CCN(C(=O)CN)CC1
InChIInChI=1S/C10H21N3O/c1-9(2)8-12-3-5-13(6-4-12)10(14)7-11/h9H,3-8,11H2,1-2H3
InChIKeyQFECRRKAOIRZFY-UHFFFAOYSA-N
XLogP-0.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione
CID 155656405
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591
3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 55116740
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
2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 55116741
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43251955
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone (CID 2756453) is 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone is CC(C)CN1CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is QFECRRKAOIRZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(2)8-12-3-5-13(6-4-12)10(14)7-11/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 199.30 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2756453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).