2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine

C18H30N2S — CID 64839573

IUPAC2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCCCC1CN(Cc2ccsc2)C(C2CCCCC2)CN1
InChIInChI=1S/C18H30N2S/c1-2-6-17-13-20(12-15-9-10-21-14-15)18(11-19-17)16-7-4-3-5-8-16/h9-10,14,16-19H,2-8,11-13H2,1H3
InChIKeyKEKOJZOZQZUTCL-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.27
Rot. Bonds5

About 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine

2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64839573) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64839573
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCCCC1CN(Cc2ccsc2)C(C2CCCCC2)CN1
InChIInChI=1S/C18H30N2S/c1-2-6-17-13-20(12-15-9-10-21-14-15)18(11-19-17)16-7-4-3-5-8-16/h9-10,14,16-19H,2-8,11-13H2,1H3
InChIKeyKEKOJZOZQZUTCL-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine (CID 64839573) is 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine is CCCC1CN(Cc2ccsc2)C(C2CCCCC2)CN1.
What is the InChIKey of 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is KEKOJZOZQZUTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-2-6-17-13-20(12-15-9-10-21-14-15)18(11-19-17)16-7-4-3-5-8-16/h9-10,14,16-19H,2-8,11-13H2,1H3.
What are the key properties of 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine?
2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 306.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-propyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64839573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).