4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one

C16H30N2O — CID 91510241

IUPAC4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one
SMILESCCC1CCC(N2CCN(C(C)(C)C)CC2=O)CC1
InChIInChI=1S/C16H30N2O/c1-5-13-6-8-14(9-7-13)18-11-10-17(12-15(18)19)16(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyYFOMEUSZXYVHIR-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.90
Rot. Bonds2

About 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one

4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one (PubChem CID 91510241) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one
PubChem CID91510241
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one
SMILESCCC1CCC(N2CCN(C(C)(C)C)CC2=O)CC1
InChIInChI=1S/C16H30N2O/c1-5-13-6-8-14(9-7-13)18-11-10-17(12-15(18)19)16(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyYFOMEUSZXYVHIR-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one?
The IUPAC name of 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one (CID 91510241) is 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one?
The canonical SMILES for 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one is CCC1CCC(N2CCN(C(C)(C)C)CC2=O)CC1.
What is the InChIKey of 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one?
The InChIKey is YFOMEUSZXYVHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-13-6-8-14(9-7-13)18-11-10-17(12-15(18)19)16(2,3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one?
4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one has a molecular weight of 266.43 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4-ethylcyclohexyl)piperazin-2-one is sourced from PubChem (CID 91510241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).