1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine

C15H18N2OS — CID 43510336

IUPAC1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine
SMILESc1csc(COc2ccc(N3CCNCC3)cc2)c1
InChIInChI=1S/C15H18N2OS/c1-2-15(19-11-1)12-18-14-5-3-13(4-6-14)17-9-7-16-8-10-17/h1-6,11,16H,7-10,12H2
InChIKeyCHOBCIZWGYCJOV-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.74
Rot. Bonds4

About 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine

1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine (PubChem CID 43510336) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine
PubChem CID43510336
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine
SMILESc1csc(COc2ccc(N3CCNCC3)cc2)c1
InChIInChI=1S/C15H18N2OS/c1-2-15(19-11-1)12-18-14-5-3-13(4-6-14)17-9-7-16-8-10-17/h1-6,11,16H,7-10,12H2
InChIKeyCHOBCIZWGYCJOV-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine?
The IUPAC name of 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine (CID 43510336) is 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine.
What is the SMILES notation for 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine?
The canonical SMILES for 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine is c1csc(COc2ccc(N3CCNCC3)cc2)c1.
What is the InChIKey of 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine?
The InChIKey is CHOBCIZWGYCJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-15(19-11-1)12-18-14-5-3-13(4-6-14)17-9-7-16-8-10-17/h1-6,11,16H,7-10,12H2.
What are the key properties of 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine?
1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine has a molecular weight of 274.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiophen-2-ylmethoxy)phenyl]piperazine is sourced from PubChem (CID 43510336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).