(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine

C11H24N2 — CID 168821031

IUPAC(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
SMILESC[C@@H]1[C@H](C)N(C(C)(C)C)CCN1C
InChIInChI=1S/C11H24N2/c1-9-10(2)13(11(3,4)5)8-7-12(9)6/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyMGNVAABCLYSTPT-ZJUUUORDSA-N
MW184.33 g/mol
LogP1.81
Rot. Bonds

About (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine

(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine (PubChem CID 168821031) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine.

Molecular Properties

Compound Name(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
PubChem CID168821031
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
SMILESC[C@@H]1[C@H](C)N(C(C)(C)C)CCN1C
InChIInChI=1S/C11H24N2/c1-9-10(2)13(11(3,4)5)8-7-12(9)6/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyMGNVAABCLYSTPT-ZJUUUORDSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine?
The IUPAC name of (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine (CID 168821031) is (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine.
What is the SMILES notation for (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine?
The canonical SMILES for (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine is C[C@@H]1[C@H](C)N(C(C)(C)C)CCN1C.
What is the InChIKey of (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine?
The InChIKey is MGNVAABCLYSTPT-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H24N2/c1-9-10(2)13(11(3,4)5)8-7-12(9)6/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine?
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine has a molecular weight of 184.33 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine is sourced from PubChem (CID 168821031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).