3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one

C13H27N3O — CID 55116740

IUPAC3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CN1CCN(C(=O)C(C)(C)CN)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)9-15-5-7-16(8-6-15)12(17)13(3,4)10-14/h11H,5-10,14H2,1-4H3
InChIKeyNSLOARPELUVXPV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.77
Rot. Bonds4

About 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one

3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one (PubChem CID 55116740) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
PubChem CID55116740
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CN1CCN(C(=O)C(C)(C)CN)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)9-15-5-7-16(8-6-15)12(17)13(3,4)10-14/h11H,5-10,14H2,1-4H3
InChIKeyNSLOARPELUVXPV-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 55116741
3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 65270005
2-[4-(3-amino-2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 113307645
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
3-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 81489049
3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 116991070
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 62488068
2-ethyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]butanethioamide
CID 62775517
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
1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 82023470

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one (CID 55116740) is 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one is CC(C)CN1CCN(C(=O)C(C)(C)CN)CC1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The InChIKey is NSLOARPELUVXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)9-15-5-7-16(8-6-15)12(17)13(3,4)10-14/h11H,5-10,14H2,1-4H3.
What are the key properties of 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one?
3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one has a molecular weight of 241.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55116740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).