1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine

Name: 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₈F₂N₂OS — CID 171181458

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine

SMILESCOc1ccc(F)c([C@H](c2cccs2)N2CCNCC2)c1F

InChIInChI=1S/C16H18F2N2OS/c1-21-12-5-4-11(17)14(15(12)18)16(13-3-2-10-22-13)20-8-6-19-7-9-20/h2-5,10,16,19H,6-9H2,1H3/t16-/m0/s1

InChIKeyYRRMCCRNWAJNSO-INIZCTEOSA-N

MW324.40 g/mol

LogP3.03

Rot. Bonds4

About 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine

1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171181458) has the molecular formula C₁₆H₁₈F₂N₂OS and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name	1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID	171181458
Molecular Formula	C₁₆H₁₈F₂N₂OS
Molecular Weight	324.40 g/mol
Exact Mass	324.11
IUPAC Name	1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
SMILES	COc1ccc(F)c([C@H](c2cccs2)N2CCNCC2)c1F
InChI	InChI=1S/C16H18F2N2OS/c1-21-12-5-4-11(17)14(15(12)18)16(13-3-2-10-22-13)20-8-6-19-7-9-20/h2-5,10,16,19H,6-9H2,1H3/t16-/m0/s1
InChIKey	YRRMCCRNWAJNSO-INIZCTEOSA-N
XLogP	3.03
TPSA	24.50 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.40
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine?

The IUPAC name of 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine (CID 171181458) is 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine.

What is the SMILES notation for 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine?

The canonical SMILES for 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine is COc1ccc(F)c([C@H](c2cccs2)N2CCNCC2)c1F.

What is the InChIKey of 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine?

The InChIKey is YRRMCCRNWAJNSO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18F2N2OS/c1-21-12-5-4-11(17)14(15(12)18)16(13-3-2-10-22-13)20-8-6-19-7-9-20/h2-5,10,16,19H,6-9H2,1H3/t16-/m0/s1.

What are the key properties of 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine?

1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 324.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171181458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 171181458 — identifiers, structure, computed properties (public domain)

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