cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride

C15H23ClN2O3 — CID 71783234

IUPACcyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCC1)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C15H22N2O3.ClH/c18-13(14-5-2-10-20-14)11-16-6-8-17(9-7-16)15(19)12-3-1-4-12;/h2,5,10,12-13,18H,1,3-4,6-9,11H2;1H
InChIKeyVZKZGLXNUNCOCH-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.68
Rot. Bonds4

About cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride

cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 71783234) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID71783234
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Namecyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCC1)N1CCN(CC(O)c2ccco2)CC1
InChIInChI=1S/C15H22N2O3.ClH/c18-13(14-5-2-10-20-14)11-16-6-8-17(9-7-16)15(19)12-3-1-4-12;/h2,5,10,12-13,18H,1,3-4,6-9,11H2;1H
InChIKeyVZKZGLXNUNCOCH-UHFFFAOYSA-N
XLogP1.68
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 71783464
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]-naphthalen-2-ylmethanone;hydrochloride
CID 71783190
[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
CID 36882205
1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 97038886
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
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
CID 71783165
2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
CID 71683705

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride (CID 71783234) is cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride is Cl.O=C(C1CCC1)N1CCN(CC(O)c2ccco2)CC1.
What is the InChIKey of cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is VZKZGLXNUNCOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c18-13(14-5-2-10-20-14)11-16-6-8-17(9-7-16)15(19)12-3-1-4-12;/h2,5,10,12-13,18H,1,3-4,6-9,11H2;1H.
What are the key properties of cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride?
cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71783234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).