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

C11H24N2 — CID 177304576

IUPAC1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine
SMILES[2H]C1([2H])N(C(C)C)CCN(C(C)(C)C)C1([2H])[2H]
InChIInChI=1S/C11H24N2/c1-10(2)12-6-8-13(9-7-12)11(3,4)5/h10H,6-9H2,1-5H3/i6D2,8D2
InChIKeyXYPNOAVSRWKGCR-GBIJOAKOSA-N
MW188.35 g/mol
LogP1.81
Rot. Bonds1

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

1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine (PubChem CID 177304576) has the molecular formula C11H24N2 and a molecular weight of 188.35 g/mol. Its IUPAC name is 1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine
PubChem CID177304576
Molecular FormulaC11H24N2
Molecular Weight188.35 g/mol
Exact Mass188.22
IUPAC Name1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine
SMILES[2H]C1([2H])N(C(C)C)CCN(C(C)(C)C)C1([2H])[2H]
InChIInChI=1S/C11H24N2/c1-10(2)12-6-8-13(9-7-12)11(3,4)5/h10H,6-9H2,1-5H3/i6D2,8D2
InChIKeyXYPNOAVSRWKGCR-GBIJOAKOSA-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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Related Compounds

1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine
CID 176728436
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine
CID 172546515
1-tert-butyl-2,2,3,3-tetradeuteriopyrrolidine
CID 140872224
1,4-ditert-butyl-2,2,3-trideuteriopiperidine
CID 176728380
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 161180929
(4-tert-butylpiperazin-1-yl)-trimethylphosphanium
CID 166868220
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine
CID 167181196
1-propan-2-yl-4-(trifluoromethyl)-1,4-diazepane
CID 155312343
N-(2-fluoroethyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-2-amine
CID 126486742

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine?
The IUPAC name of 1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine (CID 177304576) is 1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine?
The canonical SMILES for 1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine is [2H]C1([2H])N(C(C)C)CCN(C(C)(C)C)C1([2H])[2H].
What is the InChIKey of 1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine?
The InChIKey is XYPNOAVSRWKGCR-GBIJOAKOSA-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/i6D2,8D2.
What are the key properties of 1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine?
1-tert-butyl-2,2,3,3-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-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine is sourced from PubChem (CID 177304576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).