5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine

C14H28N2S — CID 113474587

IUPAC5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1CCSCC
InChIInChI=1S/C14H28N2S/c1-3-5-13-10-15-14(12-6-7-12)11-16(13)8-9-17-4-2/h12-15H,3-11H2,1-2H3
InChIKeyUDCQTLVTLBIOIQ-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds7

About 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine

5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine (PubChem CID 113474587) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine
PubChem CID113474587
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1CCSCC
InChIInChI=1S/C14H28N2S/c1-3-5-13-10-15-14(12-6-7-12)11-16(13)8-9-17-4-2/h12-15H,3-11H2,1-2H3
InChIKeyUDCQTLVTLBIOIQ-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine
CID 106733268
1-(cyclobutylmethyl)-5-cyclohexyl-2-propylpiperazine
CID 65462078
1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 103050837
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 64862217
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
CID 64859717
5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
CID 115327094
5-cyclohexyl-1-(2-cyclopentylethyl)-2-ethylpiperazine
CID 64935138
5-cyclohexyl-1-(oxolan-3-ylmethyl)-2-propylpiperazine
CID 64860188
5-cyclopropyl-2-ethyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129860
1-(2-cyclopentyloxyethyl)-5-cyclopropyl-2-ethylpiperazine
CID 64940447
2-benzyl-1-butyl-5-cyclopropylpiperazine
CID 64860330

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine (CID 113474587) is 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine is CCCC1CNC(C2CC2)CN1CCSCC.
What is the InChIKey of 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine?
The InChIKey is UDCQTLVTLBIOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-5-13-10-15-14(12-6-7-12)11-16(13)8-9-17-4-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine?
5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-ethylsulfanylethyl)-2-propylpiperazine is sourced from PubChem (CID 113474587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).