1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one

C16H31N3O — CID 15165099

IUPAC1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC1(C)CN(CCNC2CCCCC2)C(=O)C(C)(C)N1
InChIInChI=1S/C16H31N3O/c1-15(2)12-19(14(20)16(3,4)18-15)11-10-17-13-8-6-5-7-9-13/h13,17-18H,5-12H2,1-4H3
InChIKeyBXYLMCLXGCYKJB-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one

1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 15165099) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one
PubChem CID15165099
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one
SMILESCC1(C)CN(CCNC2CCCCC2)C(=O)C(C)(C)N1
InChIInChI=1S/C16H31N3O/c1-15(2)12-19(14(20)16(3,4)18-15)11-10-17-13-8-6-5-7-9-13/h13,17-18H,5-12H2,1-4H3
InChIKeyBXYLMCLXGCYKJB-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
The IUPAC name of 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one (CID 15165099) is 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one.
What is the SMILES notation for 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
The canonical SMILES for 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one is CC1(C)CN(CCNC2CCCCC2)C(=O)C(C)(C)N1.
What is the InChIKey of 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
The InChIKey is BXYLMCLXGCYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2)12-19(14(20)16(3,4)18-15)11-10-17-13-8-6-5-7-9-13/h13,17-18H,5-12H2,1-4H3.
What are the key properties of 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 281.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 15165099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).