1,4-ditert-butyl-6-methylpiperazin-2-one

C13H26N2O — CID 138627508

IUPAC1,4-ditert-butyl-6-methylpiperazin-2-one
SMILESCC1CN(C(C)(C)C)CC(=O)N1C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10-8-14(12(2,3)4)9-11(16)15(10)13(5,6)7/h10H,8-9H2,1-7H3
InChIKeyRIKCNWQJIWVERP-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.12
Rot. Bonds

About 1,4-ditert-butyl-6-methylpiperazin-2-one

1,4-ditert-butyl-6-methylpiperazin-2-one (PubChem CID 138627508) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,4-ditert-butyl-6-methylpiperazin-2-one.

Molecular Properties

Compound Name1,4-ditert-butyl-6-methylpiperazin-2-one
PubChem CID138627508
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1,4-ditert-butyl-6-methylpiperazin-2-one
SMILESCC1CN(C(C)(C)C)CC(=O)N1C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10-8-14(12(2,3)4)9-11(16)15(10)13(5,6)7/h10H,8-9H2,1-7H3
InChIKeyRIKCNWQJIWVERP-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-tert-butyl-6-methylpiperazin-2-one
CID 70933116
1-tert-butyl-4-tert-butylsulfanyl-5-methylpyrrolidin-2-one
CID 129093249
1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one
CID 4290475
1,4-ditert-butyl-2-methylpiperazine
CID 58993903
(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one
CID 168820502
1-(1-tert-butylpiperidin-4-yl)-4-methylazetidin-2-one
CID 135298818
(2R)-4-tert-butyl-2-methylpiperazine-1-carbonitrile
CID 89081107
(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one
CID 58465109
(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one
CID 139472829
(4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-one
CID 90008465
3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane;bis((2S)-1,4-ditert-butyl-2-methylpiperazine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperazin-2-one;1,4-ditert-butylpiperidine
CID 163776202
5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 163962747

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-6-methylpiperazin-2-one?
The IUPAC name of 1,4-ditert-butyl-6-methylpiperazin-2-one (CID 138627508) is 1,4-ditert-butyl-6-methylpiperazin-2-one.
What is the SMILES notation for 1,4-ditert-butyl-6-methylpiperazin-2-one?
The canonical SMILES for 1,4-ditert-butyl-6-methylpiperazin-2-one is CC1CN(C(C)(C)C)CC(=O)N1C(C)(C)C.
What is the InChIKey of 1,4-ditert-butyl-6-methylpiperazin-2-one?
The InChIKey is RIKCNWQJIWVERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-8-14(12(2,3)4)9-11(16)15(10)13(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of 1,4-ditert-butyl-6-methylpiperazin-2-one?
1,4-ditert-butyl-6-methylpiperazin-2-one has a molecular weight of 226.36 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-6-methylpiperazin-2-one is sourced from PubChem (CID 138627508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).