1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one

C14H28N2O — CID 113072769

IUPAC1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one
SMILESCCCCN1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C14H28N2O/c1-4-7-8-15-9-11-16(12-10-15)14(17)13(5-2)6-3/h13H,4-12H2,1-3H3
InChIKeyAWUVDYMXFAHZRS-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.37
Rot. Bonds6

About 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one

1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one (PubChem CID 113072769) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one
PubChem CID113072769
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one
SMILESCCCCN1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C14H28N2O/c1-4-7-8-15-9-11-16(12-10-15)14(17)13(5-2)6-3/h13H,4-12H2,1-3H3
InChIKeyAWUVDYMXFAHZRS-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-aminopropyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 28705883
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-ethylhexan-1-one
CID 80665419
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
1-[4-(2-bromoethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 82987942
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-propylpentan-1-one
CID 82984279
4-octylpiperazine-1-carboxylic acid
CID 22047855
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43251822
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
4-nonylpiperazine-1-carboxamide
CID 13213299
methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate
CID 110818049
2-ethyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)hexan-1-one
CID 110280914
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one?
The IUPAC name of 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one (CID 113072769) is 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one?
The canonical SMILES for 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one is CCCCN1CCN(C(=O)C(CC)CC)CC1.
What is the InChIKey of 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one?
The InChIKey is AWUVDYMXFAHZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-8-15-9-11-16(12-10-15)14(17)13(5-2)6-3/h13H,4-12H2,1-3H3.
What are the key properties of 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one?
1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one is sourced from PubChem (CID 113072769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).