5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine

C17H28N2S — CID 64861167

IUPAC5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCC1(C)CNC(C2CCCCC2)CN1Cc1cccs1
InChIInChI=1S/C17H28N2S/c1-17(2)13-18-16(14-7-4-3-5-8-14)12-19(17)11-15-9-6-10-20-15/h6,9-10,14,16,18H,3-5,7-8,11-13H2,1-2H3
InChIKeyCLSVYJRLIPVMRS-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.88
Rot. Bonds3

About 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine

5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine (PubChem CID 64861167) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine
PubChem CID64861167
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCC1(C)CNC(C2CCCCC2)CN1Cc1cccs1
InChIInChI=1S/C17H28N2S/c1-17(2)13-18-16(14-7-4-3-5-8-14)12-19(17)11-15-9-6-10-20-15/h6,9-10,14,16,18H,3-5,7-8,11-13H2,1-2H3
InChIKeyCLSVYJRLIPVMRS-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine (CID 64861167) is 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine is CC1(C)CNC(C2CCCCC2)CN1Cc1cccs1.
What is the InChIKey of 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine?
The InChIKey is CLSVYJRLIPVMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-17(2)13-18-16(14-7-4-3-5-8-14)12-19(17)11-15-9-6-10-20-15/h6,9-10,14,16,18H,3-5,7-8,11-13H2,1-2H3.
What are the key properties of 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine?
5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine has a molecular weight of 292.49 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 64861167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).