1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine

C19H40N2O — CID 146332005

IUPAC1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine
SMILESCC(C)(C)N1CCN(C(C)(C)COC(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H40N2O/c1-16(2,3)19(9,10)22-15-18(7,8)21-13-11-20(12-14-21)17(4,5)6/h11-15H2,1-10H3
InChIKeyBCSKRWRFSXXSAW-UHFFFAOYSA-N
MW312.54 g/mol
LogP4.02
Rot. Bonds4

About 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine

1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine (PubChem CID 146332005) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine
PubChem CID146332005
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine
SMILESCC(C)(C)N1CCN(C(C)(C)COC(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H40N2O/c1-16(2,3)19(9,10)22-15-18(7,8)21-13-11-20(12-14-21)17(4,5)6/h11-15H2,1-10H3
InChIKeyBCSKRWRFSXXSAW-UHFFFAOYSA-N
XLogP4.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine (CID 146332005) is 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine is CC(C)(C)N1CCN(C(C)(C)COC(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine?
The InChIKey is BCSKRWRFSXXSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-16(2,3)19(9,10)22-15-18(7,8)21-13-11-20(12-14-21)17(4,5)6/h11-15H2,1-10H3.
What are the key properties of 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine?
1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine has a molecular weight of 312.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-methyl-1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl]piperazine is sourced from PubChem (CID 146332005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).