1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine

C11H24N2 — CID 176728436

IUPAC1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine
SMILES[2H]C1C([2H])N(C(C)(C)C)C([2H])C([2H])N1C(C)C
InChIInChI=1S/C11H24N2/c1-10(2)12-6-8-13(9-7-12)11(3,4)5/h10H,6-9H2,1-5H3/i6D,7D,8D,9D
InChIKeyXYPNOAVSRWKGCR-YKVCKAMESA-N
MW188.35 g/mol
LogP1.81
Rot. Bonds1

About 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine

1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine (PubChem CID 176728436) has the molecular formula C11H24N2 and a molecular weight of 188.35 g/mol. Its IUPAC name is 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine
PubChem CID176728436
Molecular FormulaC11H24N2
Molecular Weight188.35 g/mol
Exact Mass188.22
IUPAC Name1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine
SMILES[2H]C1C([2H])N(C(C)(C)C)C([2H])C([2H])N1C(C)C
InChIInChI=1S/C11H24N2/c1-10(2)12-6-8-13(9-7-12)11(3,4)5/h10H,6-9H2,1-5H3/i6D,7D,8D,9D
InChIKeyXYPNOAVSRWKGCR-YKVCKAMESA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine?
The IUPAC name of 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine (CID 176728436) is 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine?
The canonical SMILES for 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine is [2H]C1C([2H])N(C(C)(C)C)C([2H])C([2H])N1C(C)C.
What is the InChIKey of 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine?
The InChIKey is XYPNOAVSRWKGCR-YKVCKAMESA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2)12-6-8-13(9-7-12)11(3,4)5/h10H,6-9H2,1-5H3/i6D,7D,8D,9D.
What are the key properties of 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine?
1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine has a molecular weight of 188.35 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine is sourced from PubChem (CID 176728436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).