[4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C16H31N3O — CID 66476634

IUPAC[4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCN(CCCCN)CC2)C1(C)C
InChIInChI=1S/C16H31N3O/c1-15(2)13(16(15,3)4)14(20)19-11-9-18(10-12-19)8-6-5-7-17/h13H,5-12,17H2,1-4H3
InChIKeyMAIBJVHRKPUKMR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.55
Rot. Bonds5

About [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 66476634) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID66476634
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCN(CCCCN)CC2)C1(C)C
InChIInChI=1S/C16H31N3O/c1-15(2)13(16(15,3)4)14(20)19-11-9-18(10-12-19)8-6-5-7-17/h13H,5-12,17H2,1-4H3
InChIKeyMAIBJVHRKPUKMR-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
CID 79166118
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 43252118
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylpropan-1-one
CID 43251783
[4-(5-aminopentyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79750598
methyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 174315697
[4-(5-aminopentyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 114824137
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(1-methylcyclohexyl)methanone
CID 106825958
1-[4-(4-aminobutyl)piperazin-1-yl]-3-methylbutan-1-one
CID 43251848
[4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 168813718
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43251822
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 62907208

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 66476634) is [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)N2CCN(CCCCN)CC2)C1(C)C.
What is the InChIKey of [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is MAIBJVHRKPUKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2)13(16(15,3)4)14(20)19-11-9-18(10-12-19)8-6-5-7-17/h13H,5-12,17H2,1-4H3.
What are the key properties of [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 66476634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).