1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C13H26N2O2 — CID 113073330

IUPAC1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCCCN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)12(16)15-9-7-14(8-10-15)6-5-11-17-4/h5-11H2,1-4H3
InChIKeyLUPGABRCQDYJEF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds4

About 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 113073330) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID113073330
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCCCN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)12(16)15-9-7-14(8-10-15)6-5-11-17-4/h5-11H2,1-4H3
InChIKeyLUPGABRCQDYJEF-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 113073330) is 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is COCCCN1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LUPGABRCQDYJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)12(16)15-9-7-14(8-10-15)6-5-11-17-4/h5-11H2,1-4H3.
What are the key properties of 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 113073330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).