1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine

C17H35N3 — CID 167222045

IUPAC1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine
SMILESCC(C)(C)N1CCNC(CC(C)(C)N2CCCCC2)C1
InChIInChI=1S/C17H35N3/c1-16(2,3)20-12-9-18-15(14-20)13-17(4,5)19-10-7-6-8-11-19/h15,18H,6-14H2,1-5H3
InChIKeyZBAHZVVACHLLOU-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.71
Rot. Bonds3

About 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine

1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine (PubChem CID 167222045) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine
PubChem CID167222045
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine
SMILESCC(C)(C)N1CCNC(CC(C)(C)N2CCCCC2)C1
InChIInChI=1S/C17H35N3/c1-16(2,3)20-12-9-18-15(14-20)13-17(4,5)19-10-7-6-8-11-19/h15,18H,6-14H2,1-5H3
InChIKeyZBAHZVVACHLLOU-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine?
The IUPAC name of 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine (CID 167222045) is 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine.
What is the SMILES notation for 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine?
The canonical SMILES for 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine is CC(C)(C)N1CCNC(CC(C)(C)N2CCCCC2)C1.
What is the InChIKey of 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine?
The InChIKey is ZBAHZVVACHLLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2,3)20-12-9-18-15(14-20)13-17(4,5)19-10-7-6-8-11-19/h15,18H,6-14H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine?
1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-methyl-2-piperidin-1-ylpropyl)piperazine is sourced from PubChem (CID 167222045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).