1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine

C17H33N3 — CID 114460333

IUPAC1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine
SMILESCC(C)(C)C1=CCN(CC(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C17H33N3/c1-16(2,3)15-6-10-19(11-7-15)14-17(4,5)20-12-8-18-9-13-20/h6,18H,7-14H2,1-5H3
InChIKeyZETBZDZUHLUPHD-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.35
Rot. Bonds3

About 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine

1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine (PubChem CID 114460333) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine
PubChem CID114460333
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine
SMILESCC(C)(C)C1=CCN(CC(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C17H33N3/c1-16(2,3)15-6-10-19(11-7-15)14-17(4,5)20-12-8-18-9-13-20/h6,18H,7-14H2,1-5H3
InChIKeyZETBZDZUHLUPHD-UHFFFAOYSA-N
XLogP2.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine?
The IUPAC name of 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine (CID 114460333) is 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine.
What is the SMILES notation for 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine?
The canonical SMILES for 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine is CC(C)(C)C1=CCN(CC(C)(C)N2CCNCC2)CC1.
What is the InChIKey of 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine?
The InChIKey is ZETBZDZUHLUPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-16(2,3)15-6-10-19(11-7-15)14-17(4,5)20-12-8-18-9-13-20/h6,18H,7-14H2,1-5H3.
What are the key properties of 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine?
1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine has a molecular weight of 279.47 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-2-yl]piperazine is sourced from PubChem (CID 114460333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).