1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine

C10H22N2 — CID 170533274

IUPAC1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine
SMILES[2H]C([2H])([2H])C1CN(C)CCN1C(C)(C)C
InChIInChI=1S/C10H22N2/c1-9-8-11(5)6-7-12(9)10(2,3)4/h9H,6-8H2,1-5H3/i1D3
InChIKeySBLBXVRAFYERQR-FIBGUPNXSA-N
MW173.32 g/mol
LogP1.42
Rot. Bonds1

About 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine

1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine (PubChem CID 170533274) has the molecular formula C10H22N2 and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine
PubChem CID170533274
Molecular FormulaC10H22N2
Molecular Weight173.32 g/mol
Exact Mass173.20
IUPAC Name1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine
SMILES[2H]C([2H])([2H])C1CN(C)CCN1C(C)(C)C
InChIInChI=1S/C10H22N2/c1-9-8-11(5)6-7-12(9)10(2,3)4/h9H,6-8H2,1-5H3/i1D3
InChIKeySBLBXVRAFYERQR-FIBGUPNXSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-tert-butyl-2-(isocyanomethyl)-4-methylpiperazine
CID 176748169
1,4-ditert-butyl-2-methylpiperazine
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1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
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1-tert-butyl-2-methylaziridine
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(5S)-4,5-ditert-butyl-1-methyl-1,4-diazepane
CID 171587505
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
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1-tert-butyl-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 90337619
(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine
CID 168820917
[1-(1-amino-2-methylpropan-2-yl)-4-methylpiperazin-2-yl]methanol
CID 83819424
ethane;(2S)-1,2,4-trimethylpiperazine
CID 90960926
4-[2-(2,4-dimethylpiperazin-1-yl)-2-methylpropyl]-1-methylpiperidin-4-ol
CID 139548142
1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
CID 145359851

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine?
The IUPAC name of 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine (CID 170533274) is 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine is [2H]C([2H])([2H])C1CN(C)CCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine?
The InChIKey is SBLBXVRAFYERQR-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H22N2/c1-9-8-11(5)6-7-12(9)10(2,3)4/h9H,6-8H2,1-5H3/i1D3.
What are the key properties of 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine?
1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine has a molecular weight of 173.32 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine is sourced from PubChem (CID 170533274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).