5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine

C16H32N2 — CID 65460670

IUPAC5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNC(C(C)(C)C)CN1CC1CCC1
InChIInChI=1S/C16H32N2/c1-6-16(5)12-17-14(15(2,3)4)11-18(16)10-13-8-7-9-13/h13-14,17H,6-12H2,1-5H3
InChIKeyTYTZSJANMPERHN-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine

5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine (PubChem CID 65460670) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
PubChem CID65460670
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNC(C(C)(C)C)CN1CC1CCC1
InChIInChI=1S/C16H32N2/c1-6-16(5)12-17-14(15(2,3)4)11-18(16)10-13-8-7-9-13/h13-14,17H,6-12H2,1-5H3
InChIKeyTYTZSJANMPERHN-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine (CID 65460670) is 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine is CCC1(C)CNC(C(C)(C)C)CN1CC1CCC1.
What is the InChIKey of 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine?
The InChIKey is TYTZSJANMPERHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-16(5)12-17-14(15(2,3)4)11-18(16)10-13-8-7-9-13/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine?
5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine is sourced from PubChem (CID 65460670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).