1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine

C20H39N3 — CID 155219658

IUPAC1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine
SMILESC=C(C1CCN(CC(C)(C)C)CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39N3/c1-17(22-12-14-23(15-13-22)20(5,6)7)18-8-10-21(11-9-18)16-19(2,3)4/h18H,1,8-16H2,2-7H3
InChIKeyHKDNMLAAQARUDT-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.67
Rot. Bonds3

About 1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine

1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine (PubChem CID 155219658) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine
PubChem CID155219658
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine
SMILESC=C(C1CCN(CC(C)(C)C)CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39N3/c1-17(22-12-14-23(15-13-22)20(5,6)7)18-8-10-21(11-9-18)16-19(2,3)4/h18H,1,8-16H2,2-7H3
InChIKeyHKDNMLAAQARUDT-UHFFFAOYSA-N
XLogP3.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.67
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-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine (CID 155219658) is 1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine is C=C(C1CCN(CC(C)(C)C)CC1)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine?
The InChIKey is HKDNMLAAQARUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-17(22-12-14-23(15-13-22)20(5,6)7)18-8-10-21(11-9-18)16-19(2,3)4/h18H,1,8-16H2,2-7H3.
What are the key properties of 1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine?
1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine has a molecular weight of 321.55 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethenyl]piperazine is sourced from PubChem (CID 155219658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).