2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride

C18H27ClN2O2 — CID 120741616

IUPAC2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)COCC2CC2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-14-5-7-16(8-6-14)17-11-19-9-10-20(17)18(21)13-22-12-15-3-4-15;/h5-8,15,17,19H,2-4,9-13H2,1H3;1H
InChIKeyBZLGVWVLMFEJQF-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.57
Rot. Bonds6

About 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride

2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120741616) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120741616
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)COCC2CC2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-2-14-5-7-16(8-6-14)17-11-19-9-10-20(17)18(21)13-22-12-15-3-4-15;/h5-8,15,17,19H,2-4,9-13H2,1H3;1H
InChIKeyBZLGVWVLMFEJQF-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120740942
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
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
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 120741375
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride (CID 120741616) is 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)COCC2CC2)cc1.Cl.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is BZLGVWVLMFEJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-2-14-5-7-16(8-6-14)17-11-19-9-10-20(17)18(21)13-22-12-15-3-4-15;/h5-8,15,17,19H,2-4,9-13H2,1H3;1H.
What are the key properties of 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride?
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120741616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).