(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C16H17FN2OS — CID 60655593

IUPAC(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H17FN2OS/c17-14-5-3-13(4-6-14)16(20)19-9-7-18(8-10-19)12-15-2-1-11-21-15/h1-6,11H,7-10,12H2
InChIKeyZARBIFNYQTZUMG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.85
Rot. Bonds3

About (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 60655593) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID60655593
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H17FN2OS/c17-14-5-3-13(4-6-14)16(20)19-9-7-18(8-10-19)12-15-2-1-11-21-15/h1-6,11H,7-10,12H2
InChIKeyZARBIFNYQTZUMG-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-fluorophenoxy)methyl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19585133
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328462
N,N-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30507275
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 134036779
(4-fluorophenyl)-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]methanone
CID 38388557
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 17477211
5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 86858542
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
tert-butyl N-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]carbamate
CID 9472319
N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55376317
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-(thiophen-2-ylmethyl)phenyl]methanone
CID 91950349
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 60655593) is (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ZARBIFNYQTZUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c17-14-5-3-13(4-6-14)16(20)19-9-7-18(8-10-19)12-15-2-1-11-21-15/h1-6,11H,7-10,12H2.
What are the key properties of (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60655593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).