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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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).