3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine

C17H34N2 — CID 64952439

IUPAC3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine
SMILESCC1CCCC(CCN2CCNC(C(C)(C)C)C2)C1
InChIInChI=1S/C17H34N2/c1-14-6-5-7-15(12-14)8-10-19-11-9-18-16(13-19)17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyBAUVHXUVVKEPTK-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds3

About 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine

3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine (PubChem CID 64952439) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine
PubChem CID64952439
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine
SMILESCC1CCCC(CCN2CCNC(C(C)(C)C)C2)C1
InChIInChI=1S/C17H34N2/c1-14-6-5-7-15(12-14)8-10-19-11-9-18-16(13-19)17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyBAUVHXUVVKEPTK-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine?
The IUPAC name of 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine (CID 64952439) is 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine.
What is the SMILES notation for 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine?
The canonical SMILES for 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine is CC1CCCC(CCN2CCNC(C(C)(C)C)C2)C1.
What is the InChIKey of 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine?
The InChIKey is BAUVHXUVVKEPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14-6-5-7-15(12-14)8-10-19-11-9-18-16(13-19)17(2,3)4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine?
3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine is sourced from PubChem (CID 64952439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).