1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine

C18H24N2S — CID 164918960

IUPAC1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine
SMILESCC(C)c1ccc(-c2ccccc2CN2CCNCC2)s1
InChIInChI=1S/C18H24N2S/c1-14(2)17-7-8-18(21-17)16-6-4-3-5-15(16)13-20-11-9-19-10-12-20/h3-8,14,19H,9-13H2,1-2H3
InChIKeyRAYVQIGMJDHVCF-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.94
Rot. Bonds4

About 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine

1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine (PubChem CID 164918960) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine
PubChem CID164918960
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine
SMILESCC(C)c1ccc(-c2ccccc2CN2CCNCC2)s1
InChIInChI=1S/C18H24N2S/c1-14(2)17-7-8-18(21-17)16-6-4-3-5-15(16)13-20-11-9-19-10-12-20/h3-8,14,19H,9-13H2,1-2H3
InChIKeyRAYVQIGMJDHVCF-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine (CID 164918960) is 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine is CC(C)c1ccc(-c2ccccc2CN2CCNCC2)s1.
What is the InChIKey of 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine?
The InChIKey is RAYVQIGMJDHVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-14(2)17-7-8-18(21-17)16-6-4-3-5-15(16)13-20-11-9-19-10-12-20/h3-8,14,19H,9-13H2,1-2H3.
What are the key properties of 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine?
1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine has a molecular weight of 300.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-propan-2-ylthiophen-2-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 164918960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).