6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one

C16H32N2O — CID 58055842

IUPAC6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one
SMILESCC(C)(C)C(=O)CCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)14(19)8-7-9-17-10-12-18(13-11-17)16(4,5)6/h7-13H2,1-6H3
InChIKeyAPEMCMVBTIMESO-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds4

About 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one

6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one (PubChem CID 58055842) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one
PubChem CID58055842
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one
SMILESCC(C)(C)C(=O)CCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)14(19)8-7-9-17-10-12-18(13-11-17)16(4,5)6/h7-13H2,1-6H3
InChIKeyAPEMCMVBTIMESO-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one?
The IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one (CID 58055842) is 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one.
What is the SMILES notation for 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one?
The canonical SMILES for 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one is CC(C)(C)C(=O)CCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one?
The InChIKey is APEMCMVBTIMESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)14(19)8-7-9-17-10-12-18(13-11-17)16(4,5)6/h7-13H2,1-6H3.
What are the key properties of 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one?
6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one has a molecular weight of 268.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexan-3-one is sourced from PubChem (CID 58055842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).