1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride

C17H27ClN2O — CID 120741416

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C(C)CC)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-13(3)17(20)19-11-10-18-12-16(19)15-8-6-14(5-2)7-9-15;/h6-9,13,16,18H,4-5,10-12H2,1-3H3;1H
InChIKeyBXZWGYXKXIPXHH-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride (PubChem CID 120741416) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
PubChem CID120741416
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C(C)CC)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-13(3)17(20)19-11-10-18-12-16(19)15-8-6-14(5-2)7-9-15;/h6-9,13,16,18H,4-5,10-12H2,1-3H3;1H
InChIKeyBXZWGYXKXIPXHH-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 120739982
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120740649
N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 120740327
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea
CID 120741607
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120741554
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride (CID 120741416) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride is CCc1ccc(C2CNCCN2C(=O)C(C)CC)cc1.Cl.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride?
The InChIKey is BXZWGYXKXIPXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-4-13(3)17(20)19-11-10-18-12-16(19)15-8-6-14(5-2)7-9-15;/h6-9,13,16,18H,4-5,10-12H2,1-3H3;1H.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride?
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 120741416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).