1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one

C14H29N3O — CID 63341204

IUPAC1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(CN)N1CCN(C(=O)C(C)(C)CC)CC1
InChIInChI=1S/C14H29N3O/c1-5-12(11-15)16-7-9-17(10-8-16)13(18)14(3,4)6-2/h12H,5-11,15H2,1-4H3
InChIKeySIIXCKSQVJZYCL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds5

About 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one

1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one (PubChem CID 63341204) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
PubChem CID63341204
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(CN)N1CCN(C(=O)C(C)(C)CC)CC1
InChIInChI=1S/C14H29N3O/c1-5-12(11-15)16-7-9-17(10-8-16)13(18)14(3,4)6-2/h12H,5-11,15H2,1-4H3
InChIKeySIIXCKSQVJZYCL-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one (CID 63341204) is 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one is CCC(CN)N1CCN(C(=O)C(C)(C)CC)CC1.
What is the InChIKey of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
The InChIKey is SIIXCKSQVJZYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-12(11-15)16-7-9-17(10-8-16)13(18)14(3,4)6-2/h12H,5-11,15H2,1-4H3.
What are the key properties of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 63341204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).