[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride

C18H23ClN2O2 — CID 120740764

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2occc2C)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-14-4-6-15(7-5-14)16-12-19-9-10-20(16)18(21)17-13(2)8-11-22-17;/h4-8,11,16,19H,3,9-10,12H2,1-2H3;1H
InChIKeyPVJIJICKZMOGFQ-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.36
Rot. Bonds3

About [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride

[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride (PubChem CID 120740764) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
PubChem CID120740764
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2occc2C)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-14-4-6-15(7-5-14)16-12-19-9-10-20(16)18(21)17-13(2)8-11-22-17;/h4-8,11,16,19H,3,9-10,12H2,1-2H3;1H
InChIKeyPVJIJICKZMOGFQ-UHFFFAOYSA-N
XLogP3.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 120736698
[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120741554
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120741559
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120740108
[2-(4-ethylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120740490
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride (CID 120740764) is [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2occc2C)cc1.Cl.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride?
The InChIKey is PVJIJICKZMOGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-3-14-4-6-15(7-5-14)16-12-19-9-10-20(16)18(21)17-13(2)8-11-22-17;/h4-8,11,16,19H,3,9-10,12H2,1-2H3;1H.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride?
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120740764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).