1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine

C16H18F2N2OS — CID 171176360

IUPAC1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
SMILESFC(F)Oc1cccc([C@@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C16H18F2N2OS/c17-16(18)21-13-4-1-3-12(11-13)15(14-5-2-10-22-14)20-8-6-19-7-9-20/h1-5,10-11,15-16,19H,6-9H2/t15-/m0/s1
InChIKeyGIUFNXCMGPSQIU-HNNXBMFYSA-N
MW324.40 g/mol
LogP3.34
Rot. Bonds5

About 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine

1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine (PubChem CID 171176360) has the molecular formula C16H18F2N2OS and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
PubChem CID171176360
Molecular FormulaC16H18F2N2OS
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
SMILESFC(F)Oc1cccc([C@@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C16H18F2N2OS/c17-16(18)21-13-4-1-3-12(11-13)15(14-5-2-10-22-14)20-8-6-19-7-9-20/h1-5,10-11,15-16,19H,6-9H2/t15-/m0/s1
InChIKeyGIUFNXCMGPSQIU-HNNXBMFYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
CID 93464479
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280709
1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine
CID 171181941
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzonitrile
CID 171287618
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171290844
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171290841
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine (CID 171176360) is 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine is FC(F)Oc1cccc([C@@H](c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine?
The InChIKey is GIUFNXCMGPSQIU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18F2N2OS/c17-16(18)21-13-4-1-3-12(11-13)15(14-5-2-10-22-14)20-8-6-19-7-9-20/h1-5,10-11,15-16,19H,6-9H2/t15-/m0/s1.
What are the key properties of 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine?
1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine has a molecular weight of 324.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171176360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).