1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine

C14H21FN2OS — CID 126857899

IUPAC1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccsc1CN1CCN(C2COCC2F)CC1
InChIInChI=1S/C14H21FN2OS/c1-11-2-7-19-14(11)8-16-3-5-17(6-4-16)13-10-18-9-12(13)15/h2,7,12-13H,3-6,8-10H2,1H3
InChIKeyFHSYUCQPQWRDGM-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.91
Rot. Bonds3

About 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine

1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine (PubChem CID 126857899) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine
PubChem CID126857899
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccsc1CN1CCN(C2COCC2F)CC1
InChIInChI=1S/C14H21FN2OS/c1-11-2-7-19-14(11)8-16-3-5-17(6-4-16)13-10-18-9-12(13)15/h2,7,12-13H,3-6,8-10H2,1H3
InChIKeyFHSYUCQPQWRDGM-UHFFFAOYSA-N
XLogP1.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine (CID 126857899) is 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine is Cc1ccsc1CN1CCN(C2COCC2F)CC1.
What is the InChIKey of 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is FHSYUCQPQWRDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-11-2-7-19-14(11)8-16-3-5-17(6-4-16)13-10-18-9-12(13)15/h2,7,12-13H,3-6,8-10H2,1H3.
What are the key properties of 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine?
1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 284.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 126857899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).