1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine

C17H21FN2OS — CID 3435516

IUPAC1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(C)s2)N2CCNCC2)cc1F
InChIInChI=1S/C17H21FN2OS/c1-12-3-6-16(22-12)17(20-9-7-19-8-10-20)13-4-5-15(21-2)14(18)11-13/h3-6,11,17,19H,7-10H2,1-2H3
InChIKeyWFEMFWJUBIWYDE-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.20
Rot. Bonds4

About 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine

1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine (PubChem CID 3435516) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
PubChem CID3435516
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(C)s2)N2CCNCC2)cc1F
InChIInChI=1S/C17H21FN2OS/c1-12-3-6-16(22-12)17(20-9-7-19-8-10-20)13-4-5-15(21-2)14(18)11-13/h3-6,11,17,19H,7-10H2,1-2H3
InChIKeyWFEMFWJUBIWYDE-UHFFFAOYSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3787615
1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 4012387
1-[(3-fluoro-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3501372
1-[(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4300406
1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
CID 3347906
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171275677
1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275678
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]piperazine;hydrochloride
CID 171179364
1-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335
1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946740
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine (CID 3435516) is 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine is COc1ccc(C(c2ccc(C)s2)N2CCNCC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is WFEMFWJUBIWYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-12-3-6-16(22-12)17(20-9-7-19-8-10-20)13-4-5-15(21-2)14(18)11-13/h3-6,11,17,19H,7-10H2,1-2H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine?
1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 320.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 3435516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).