6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one

C16H33N3O2 — CID 134907690

IUPAC6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one
SMILESCC(C)(C)NCC1(C)CN(C(C)(C)CO)C(C)(C)C(=O)N1
InChIInChI=1S/C16H33N3O2/c1-13(2,3)17-9-16(8)10-19(14(4,5)11-20)15(6,7)12(21)18-16/h17,20H,9-11H2,1-8H3,(H,18,21)
InChIKeySRKSDAALCJYEPI-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.11
Rot. Bonds4

About 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one

6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one (PubChem CID 134907690) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one
PubChem CID134907690
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one
SMILESCC(C)(C)NCC1(C)CN(C(C)(C)CO)C(C)(C)C(=O)N1
InChIInChI=1S/C16H33N3O2/c1-13(2,3)17-9-16(8)10-19(14(4,5)11-20)15(6,7)12(21)18-16/h17,20H,9-11H2,1-8H3,(H,18,21)
InChIKeySRKSDAALCJYEPI-UHFFFAOYSA-N
XLogP1.11
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one?
The IUPAC name of 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one (CID 134907690) is 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one?
The canonical SMILES for 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one is CC(C)(C)NCC1(C)CN(C(C)(C)CO)C(C)(C)C(=O)N1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one?
The InChIKey is SRKSDAALCJYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-13(2,3)17-9-16(8)10-19(14(4,5)11-20)15(6,7)12(21)18-16/h17,20H,9-11H2,1-8H3,(H,18,21).
What are the key properties of 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one?
6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one has a molecular weight of 299.46 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one is sourced from PubChem (CID 134907690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).