1-phenyl-4-(thiolan-3-yl)piperazine

C14H20N2S — CID 2846707

IUPAC1-phenyl-4-(thiolan-3-yl)piperazine
SMILESc1ccc(N2CCN(C3CCSC3)CC2)cc1
InChIInChI=1S/C14H20N2S/c1-2-4-13(5-3-1)15-7-9-16(10-8-15)14-6-11-17-12-14/h1-5,14H,6-12H2
InChIKeyZCQRUQUNBXJYOI-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.31
Rot. Bonds2

About 1-phenyl-4-(thiolan-3-yl)piperazine

1-phenyl-4-(thiolan-3-yl)piperazine (PubChem CID 2846707) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-phenyl-4-(thiolan-3-yl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(thiolan-3-yl)piperazine
PubChem CID2846707
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-phenyl-4-(thiolan-3-yl)piperazine
SMILESc1ccc(N2CCN(C3CCSC3)CC2)cc1
InChIInChI=1S/C14H20N2S/c1-2-4-13(5-3-1)15-7-9-16(10-8-15)14-6-11-17-12-14/h1-5,14H,6-12H2
InChIKeyZCQRUQUNBXJYOI-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(thiolan-3-yl)piperazine?
The IUPAC name of 1-phenyl-4-(thiolan-3-yl)piperazine (CID 2846707) is 1-phenyl-4-(thiolan-3-yl)piperazine.
What is the SMILES notation for 1-phenyl-4-(thiolan-3-yl)piperazine?
The canonical SMILES for 1-phenyl-4-(thiolan-3-yl)piperazine is c1ccc(N2CCN(C3CCSC3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(thiolan-3-yl)piperazine?
The InChIKey is ZCQRUQUNBXJYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-4-13(5-3-1)15-7-9-16(10-8-15)14-6-11-17-12-14/h1-5,14H,6-12H2.
What are the key properties of 1-phenyl-4-(thiolan-3-yl)piperazine?
1-phenyl-4-(thiolan-3-yl)piperazine has a molecular weight of 248.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(thiolan-3-yl)piperazine is sourced from PubChem (CID 2846707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).