5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine

C14H28N2S — CID 113474592

IUPAC5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine
SMILESCCC1(C)CNC(C2CC2)CN1CCCSC
InChIInChI=1S/C14H28N2S/c1-4-14(2)11-15-13(12-6-7-12)10-16(14)8-5-9-17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyOTXANRFBHBVACL-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds6

About 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine

5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine (PubChem CID 113474592) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine
PubChem CID113474592
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine
SMILESCCC1(C)CNC(C2CC2)CN1CCCSC
InChIInChI=1S/C14H28N2S/c1-4-14(2)11-15-13(12-6-7-12)10-16(14)8-5-9-17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyOTXANRFBHBVACL-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-2-ethyl-2-methyl-1-octylpiperazine
CID 64860145
5-cyclopropyl-2-ethyl-2-methyl-1-propylpiperazine
CID 64862262
5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64859759
5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine
CID 106733294
5-cyclopropyl-2-ethyl-2-methyl-1-(2-phenylethyl)piperazine
CID 64862455
5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491173
5-cyclopropyl-2-ethyl-2-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64862073
5-cyclohexyl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64861356
5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64862069
1-butyl-5-cyclohexyl-2,2-dimethylpiperazine
CID 64861711
5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine
CID 64861878
1-(3-chloro-2-methylprop-2-enyl)-5-cyclohexyl-2-ethyl-2-methylpiperazine
CID 106440554

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine (CID 113474592) is 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine is CCC1(C)CNC(C2CC2)CN1CCCSC.
What is the InChIKey of 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine?
The InChIKey is OTXANRFBHBVACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-4-14(2)11-15-13(12-6-7-12)10-16(14)8-5-9-17-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine?
5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-2-methyl-1-(3-methylsulfanylpropyl)piperazine is sourced from PubChem (CID 113474592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).