[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride

C21H23ClN2O3 — CID 71783190

IUPAC[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc2ccccc2c1)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C21H22N2O3.ClH/c24-19(20-6-3-13-26-20)15-22-9-11-23(12-10-22)21(25)18-8-7-16-4-1-2-5-17(16)14-18;/h1-8,13-14,19,24H,9-12,15H2;1H
InChIKeyMYJOQTKZUZHUBD-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.35
Rot. Bonds4

About [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride

[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride (PubChem CID 71783190) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
PubChem CID71783190
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc2ccccc2c1)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C21H22N2O3.ClH/c24-19(20-6-3-13-26-20)15-22-9-11-23(12-10-22)21(25)18-8-7-16-4-1-2-5-17(16)14-18;/h1-8,13-14,19,24H,9-12,15H2;1H
InChIKeyMYJOQTKZUZHUBD-UHFFFAOYSA-N
XLogP3.35
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone
CID 71783185
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
CID 71783234
1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 91939147
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
CID 71783165
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783448
(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038867
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 97038837
naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 17108671
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetonitrile
CID 60728604

Frequently Asked Questions

What is the IUPAC name of [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride?
The IUPAC name of [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride (CID 71783190) is [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride is Cl.O=C(c1ccc2ccccc2c1)N1CCN(CC(O)c2ccco2)CC1.
What is the InChIKey of [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride?
The InChIKey is MYJOQTKZUZHUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.ClH/c24-19(20-6-3-13-26-20)15-22-9-11-23(12-10-22)21(25)18-8-7-16-4-1-2-5-17(16)14-18;/h1-8,13-14,19,24H,9-12,15H2;1H.
What are the key properties of [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride?
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride is sourced from PubChem (CID 71783190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).