1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine

C12H26N2 — CID 172546515

IUPAC1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine
SMILES[2H]C1([2H])N(C(C)(C)C)C([2H])([2H])C([2H])([2H])N(C(C)(C)C)C1([2H])[2H]
InChIInChI=1S/C12H26N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3/i7D2,8D2,9D2,10D2
InChIKeySLRQZQPUXWCTDN-UFBJYANTSA-N
MW206.40 g/mol
LogP2.20
Rot. Bonds

About 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine

1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine (PubChem CID 172546515) has the molecular formula C12H26N2 and a molecular weight of 206.40 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine.

Molecular Properties

Compound Name1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine
PubChem CID172546515
Molecular FormulaC12H26N2
Molecular Weight206.40 g/mol
Exact Mass206.26
IUPAC Name1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine
SMILES[2H]C1([2H])N(C(C)(C)C)C([2H])([2H])C([2H])([2H])N(C(C)(C)C)C1([2H])[2H]
InChIInChI=1S/C12H26N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3/i7D2,8D2,9D2,10D2
InChIKeySLRQZQPUXWCTDN-UFBJYANTSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine
CID 153470715
1-tert-butyl-2,3,4,5-tetradeuteriopyrrolidine
CID 140872195
1-tert-butyl-2,2,3,3-tetradeuteriopyrrolidine
CID 140872224
1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine
CID 140872162
1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine
CID 177304576
1,4-ditert-butyl-2,2,3,3,5,5,6-heptadeuterio-6-methylpiperazine
CID 90134318
1-tert-butyl-2,3,3-trideuteriopyrrolidine
CID 140872173
1,4-ditert-butyl-2,2,3-trideuteriopiperidine
CID 176728380
1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine
CID 176841742
1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine
CID 176728436
1,4-ditert-butyl-2,2,3,3,5,5,6,6-octatritiopiperazine
CID 118606012
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine?
The IUPAC name of 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine (CID 172546515) is 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine.
What is the SMILES notation for 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine?
The canonical SMILES for 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine is [2H]C1([2H])N(C(C)(C)C)C([2H])([2H])C([2H])([2H])N(C(C)(C)C)C1([2H])[2H].
What is the InChIKey of 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine?
The InChIKey is SLRQZQPUXWCTDN-UFBJYANTSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-10H2,1-6H3/i7D2,8D2,9D2,10D2.
What are the key properties of 1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine?
1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine has a molecular weight of 206.40 g/mol, XLogP of 2.20, 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-2,2,3,3,5,5,6,6-octadeuteriopiperazine is sourced from PubChem (CID 172546515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).