1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine

C15H25N3S — CID 77096922

IUPAC1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine
SMILESCCc1ccc(CN2CCN(CCSC)CC2)nc1
InChIInChI=1S/C15H25N3S/c1-3-14-4-5-15(16-12-14)13-18-8-6-17(7-9-18)10-11-19-2/h4-5,12H,3,6-11,13H2,1-2H3
InChIKeyBWCYQSZVDRRHOP-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.12
Rot. Bonds6

About 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine

1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine (PubChem CID 77096922) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine
PubChem CID77096922
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine
SMILESCCc1ccc(CN2CCN(CCSC)CC2)nc1
InChIInChI=1S/C15H25N3S/c1-3-14-4-5-15(16-12-14)13-18-8-6-17(7-9-18)10-11-19-2/h4-5,12H,3,6-11,13H2,1-2H3
InChIKeyBWCYQSZVDRRHOP-UHFFFAOYSA-N
XLogP2.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine (CID 77096922) is 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine is CCc1ccc(CN2CCN(CCSC)CC2)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine?
The InChIKey is BWCYQSZVDRRHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-14-4-5-15(16-12-14)13-18-8-6-17(7-9-18)10-11-19-2/h4-5,12H,3,6-11,13H2,1-2H3.
What are the key properties of 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine?
1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine has a molecular weight of 279.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 77096922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).