1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine

C32H68N4 — CID 159799455

IUPAC1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine
SMILESCCC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C11H23N.C10H22N2/c1-5-12-8-6-10(7-9-12)11(2,3)4;1-5-10-6-8-12(9-7-10)11(2,3)4;1-5-11-6-8-12(9-7-11)10(2,3)4/h2*10H,5-9H2,1-4H3;5-9H2,1-4H3
InChIKeyNJPFLLZKBPGZLM-UHFFFAOYSA-N
MW508.92 g/mol
LogP7.09
Rot. Bonds3

About 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine

1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine (PubChem CID 159799455) has the molecular formula C32H68N4 and a molecular weight of 508.92 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine
PubChem CID159799455
Molecular FormulaC32H68N4
Molecular Weight508.92 g/mol
Exact Mass508.54
IUPAC Name1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine
SMILESCCC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C11H23N.C10H22N2/c1-5-12-8-6-10(7-9-12)11(2,3)4;1-5-10-6-8-12(9-7-10)11(2,3)4;1-5-11-6-8-12(9-7-11)10(2,3)4/h2*10H,5-9H2,1-4H3;5-9H2,1-4H3
InChIKeyNJPFLLZKBPGZLM-UHFFFAOYSA-N
XLogP7.09
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.92
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine?
The IUPAC name of 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine (CID 159799455) is 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine?
The canonical SMILES for 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine is CCC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine?
The InChIKey is NJPFLLZKBPGZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.C10H22N2/c1-5-12-8-6-10(7-9-12)11(2,3)4;1-5-10-6-8-12(9-7-10)11(2,3)4;1-5-11-6-8-12(9-7-11)10(2,3)4/h2*10H,5-9H2,1-4H3;5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine?
1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine has a molecular weight of 508.92 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-ethylpiperidine;4-tert-butyl-1-ethylpiperidine is sourced from PubChem (CID 159799455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).