1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one

C14H28N2O — CID 140968598

IUPAC1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(C(C)C)C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-6-13(17)15-7-9-16(10-8-15)14(11(2)3)12(4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyIZYHGJJPIRZNBO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.22
Rot. Bonds4

About 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one

1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 140968598) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one
PubChem CID140968598
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(C(C)C)C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-6-13(17)15-7-9-16(10-8-15)14(11(2)3)12(4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyIZYHGJJPIRZNBO-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901
1-(4-sulfanylpiperazin-1-yl)propan-1-one
CID 123150582
2-chloro-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61041301
1-(azepan-1-yl)propan-1-one
CID 3613534
1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399548
1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110459300
N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
CID 23963068
2-(aminomethyl)-3-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)butan-1-one
CID 65227122
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one (CID 140968598) is 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(C(C)C)C(C)C)CC1.
What is the InChIKey of 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is IZYHGJJPIRZNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-13(17)15-7-9-16(10-8-15)14(11(2)3)12(4)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one?
1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 140968598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).