2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride

C16H19ClN2O2 — CID 119400066

IUPAC2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(COc1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C16H18N2O2.ClH/c19-16(18-9-7-17-8-10-18)12-20-15-6-5-13-3-1-2-4-14(13)11-15;/h1-6,11,17H,7-10,12H2;1H
InChIKeyRODDDGFXVOJIBK-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.07
Rot. Bonds3

About 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride

2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119400066) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119400066
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(COc1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C16H18N2O2.ClH/c19-16(18-9-7-17-8-10-18)12-20-15-6-5-13-3-1-2-4-14(13)11-15;/h1-6,11,17H,7-10,12H2;1H
InChIKeyRODDDGFXVOJIBK-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119403032
4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
CID 10238336
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride (CID 119400066) is 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride is Cl.O=C(COc1ccc2ccccc2c1)N1CCNCC1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is RODDDGFXVOJIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.ClH/c19-16(18-9-7-17-8-10-18)12-20-15-6-5-13-3-1-2-4-14(13)11-15;/h1-6,11,17H,7-10,12H2;1H.
What are the key properties of 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride?
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 306.79 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119400066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).