1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine

C15H25ClN2S — CID 64838257

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(Cc2ccc(Cl)s2)C(C(C)C)CN1
InChIInChI=1S/C15H25ClN2S/c1-10(2)13-9-18(14(7-17-13)11(3)4)8-12-5-6-15(16)19-12/h5-6,10-11,13-14,17H,7-9H2,1-4H3
InChIKeyUBJDFQAVTUXRHV-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.86
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine

1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine (PubChem CID 64838257) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
PubChem CID64838257
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(Cc2ccc(Cl)s2)C(C(C)C)CN1
InChIInChI=1S/C15H25ClN2S/c1-10(2)13-9-18(14(7-17-13)11(3)4)8-12-5-6-15(16)19-12/h5-6,10-11,13-14,17H,7-9H2,1-4H3
InChIKeyUBJDFQAVTUXRHV-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine (CID 64838257) is 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine is CC(C)C1CN(Cc2ccc(Cl)s2)C(C(C)C)CN1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine?
The InChIKey is UBJDFQAVTUXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-10(2)13-9-18(14(7-17-13)11(3)4)8-12-5-6-15(16)19-12/h5-6,10-11,13-14,17H,7-9H2,1-4H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine?
1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine has a molecular weight of 300.90 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64838257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).