1,4-ditert-butyl-2-methylpiperazine

C13H28N2 — CID 58993903

IUPAC1,4-ditert-butyl-2-methylpiperazine
SMILESCC1CN(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C13H28N2/c1-11-10-14(12(2,3)4)8-9-15(11)13(5,6)7/h11H,8-10H2,1-7H3
InChIKeyZADJOWHTVVNCNM-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.59
Rot. Bonds

About 1,4-ditert-butyl-2-methylpiperazine

1,4-ditert-butyl-2-methylpiperazine (PubChem CID 58993903) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1,4-ditert-butyl-2-methylpiperazine.

Molecular Properties

Compound Name1,4-ditert-butyl-2-methylpiperazine
PubChem CID58993903
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1,4-ditert-butyl-2-methylpiperazine
SMILESCC1CN(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C13H28N2/c1-11-10-14(12(2,3)4)8-9-15(11)13(5,6)7/h11H,8-10H2,1-7H3
InChIKeyZADJOWHTVVNCNM-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine
CID 168820917
1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2S,5R)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R,5R)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2S)-4-tert-butyl-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R)-4-tert-butyl-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 161140399
1-tert-butyl-2-methylaziridine
CID 15557486
(2R)-4-tert-butyl-2-methylpiperazine-1-carbonitrile
CID 89081107
4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine
CID 147800637
4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine
CID 176629966
(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 121261181
2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile
CID 146652081
1-(4-tert-butyl-3-methylpiperazin-1-yl)prop-2-en-1-one
CID 90440165
(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 170669697
1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine
CID 170533274
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

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2-methylpiperazine?
The IUPAC name of 1,4-ditert-butyl-2-methylpiperazine (CID 58993903) is 1,4-ditert-butyl-2-methylpiperazine.
What is the SMILES notation for 1,4-ditert-butyl-2-methylpiperazine?
The canonical SMILES for 1,4-ditert-butyl-2-methylpiperazine is CC1CN(C(C)(C)C)CCN1C(C)(C)C.
What is the InChIKey of 1,4-ditert-butyl-2-methylpiperazine?
The InChIKey is ZADJOWHTVVNCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11-10-14(12(2,3)4)8-9-15(11)13(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of 1,4-ditert-butyl-2-methylpiperazine?
1,4-ditert-butyl-2-methylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.59, 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-2-methylpiperazine is sourced from PubChem (CID 58993903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).