(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

C17H20ClFN2OS — CID 120736289

IUPAC(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCc1ccsc1C(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C17H19FN2OS.ClH/c1-2-12-6-9-22-16(12)17(21)20-8-7-19-11-15(20)13-4-3-5-14(18)10-13;/h3-6,9-10,15,19H,2,7-8,11H2,1H3;1H
InChIKeyGCDABNLSWLABSO-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.66
Rot. Bonds3

About (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120736289) has the molecular formula C17H20ClFN2OS and a molecular weight of 354.88 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120736289
Molecular FormulaC17H20ClFN2OS
Molecular Weight354.88 g/mol
Exact Mass354.10
IUPAC Name(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCc1ccsc1C(=O)N1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C17H19FN2OS.ClH/c1-2-12-6-9-22-16(12)17(21)20-8-7-19-11-15(20)13-4-3-5-14(18)10-13;/h3-6,9-10,15,19H,2,7-8,11H2,1H3;1H
InChIKeyGCDABNLSWLABSO-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 120736765
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120735469
[2-(3-fluorophenyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120737603
(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737581
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735525
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (CID 120736289) is (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is CCc1ccsc1C(=O)N1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is GCDABNLSWLABSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS.ClH/c1-2-12-6-9-22-16(12)17(21)20-8-7-19-11-15(20)13-4-3-5-14(18)10-13;/h3-6,9-10,15,19H,2,7-8,11H2,1H3;1H.
What are the key properties of (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120736289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).