3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one

C15H31N3O — CID 65270005

IUPAC3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
SMILESCC(C)CN1CCN(C(=O)C(C)(C)C(C)(C)N)CC1
InChIInChI=1S/C15H31N3O/c1-12(2)11-17-7-9-18(10-8-17)13(19)14(3,4)15(5,6)16/h12H,7-11,16H2,1-6H3
InChIKeyINEPGDWLANTLSS-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds4

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

3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one (PubChem CID 65270005) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
PubChem CID65270005
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
SMILESCC(C)CN1CCN(C(=O)C(C)(C)C(C)(C)N)CC1
InChIInChI=1S/C15H31N3O/c1-12(2)11-17-7-9-18(10-8-17)13(19)14(3,4)15(5,6)16/h12H,7-11,16H2,1-6H3
InChIKeyINEPGDWLANTLSS-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 62488068
2-(aminomethyl)-2-ethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 55116741
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 60962672
2-ethyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]butanethioamide
CID 62775517
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
(2S)-2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119831584
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propanoic acid
CID 62776938
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
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-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one
CID 65269716

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one (CID 65270005) is 3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one is CC(C)CN1CCN(C(=O)C(C)(C)C(C)(C)N)CC1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The InChIKey is INEPGDWLANTLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)11-17-7-9-18(10-8-17)13(19)14(3,4)15(5,6)16/h12H,7-11,16H2,1-6H3.
What are the key properties of 3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one?
3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 65270005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).