1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine

C15H31N3S — CID 114628559

IUPAC1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine
SMILESCC(C)CN1CCN(CCSC2CCNCC2)CC1
InChIInChI=1S/C15H31N3S/c1-14(2)13-18-9-7-17(8-10-18)11-12-19-15-3-5-16-6-4-15/h14-16H,3-13H2,1-2H3
InChIKeyDWPMCJOSFKSCDL-UHFFFAOYSA-N
MW285.50 g/mol
LogP1.75
Rot. Bonds6

About 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine

1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine (PubChem CID 114628559) has the molecular formula C15H31N3S and a molecular weight of 285.50 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine
PubChem CID114628559
Molecular FormulaC15H31N3S
Molecular Weight285.50 g/mol
Exact Mass285.22
IUPAC Name1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine
SMILESCC(C)CN1CCN(CCSC2CCNCC2)CC1
InChIInChI=1S/C15H31N3S/c1-14(2)13-18-9-7-17(8-10-18)11-12-19-15-3-5-16-6-4-15/h14-16H,3-13H2,1-2H3
InChIKeyDWPMCJOSFKSCDL-UHFFFAOYSA-N
XLogP1.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine (CID 114628559) is 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine is CC(C)CN1CCN(CCSC2CCNCC2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine?
The InChIKey is DWPMCJOSFKSCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3S/c1-14(2)13-18-9-7-17(8-10-18)11-12-19-15-3-5-16-6-4-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine?
1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine has a molecular weight of 285.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(2-piperidin-4-ylsulfanylethyl)piperazine is sourced from PubChem (CID 114628559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).