3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine

C15H26N2S — CID 64831519

IUPAC3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine
SMILESCCc1ccc(CN2CCNC(C(C)CC)C2)s1
InChIInChI=1S/C15H26N2S/c1-4-12(3)15-11-17(9-8-16-15)10-14-7-6-13(5-2)18-14/h6-7,12,15-16H,4-5,8-11H2,1-3H3
InChIKeyPHYAYIXPQKBNOC-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.13
Rot. Bonds5

About 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine

3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine (PubChem CID 64831519) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine
PubChem CID64831519
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine
SMILESCCc1ccc(CN2CCNC(C(C)CC)C2)s1
InChIInChI=1S/C15H26N2S/c1-4-12(3)15-11-17(9-8-16-15)10-14-7-6-13(5-2)18-14/h6-7,12,15-16H,4-5,8-11H2,1-3H3
InChIKeyPHYAYIXPQKBNOC-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine (CID 64831519) is 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine is CCc1ccc(CN2CCNC(C(C)CC)C2)s1.
What is the InChIKey of 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine?
The InChIKey is PHYAYIXPQKBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-12(3)15-11-17(9-8-16-15)10-14-7-6-13(5-2)18-14/h6-7,12,15-16H,4-5,8-11H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine?
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine has a molecular weight of 266.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 64831519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).