2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol

C17H22N2O2 — CID 71683705

IUPAC2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C17H22N2O2/c20-16(17-7-4-12-21-17)14-19-10-8-18(9-11-19)13-15-5-2-1-3-6-15/h1-7,12,16,20H,8-11,13-14H2
InChIKeyFPQYPJURNHWDLO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol

2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol (PubChem CID 71683705) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
PubChem CID71683705
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C17H22N2O2/c20-16(17-7-4-12-21-17)14-19-10-8-18(9-11-19)13-15-5-2-1-3-6-15/h1-7,12,16,20H,8-11,13-14H2
InChIKeyFPQYPJURNHWDLO-UHFFFAOYSA-N
XLogP2.13
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride
CID 71783363
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
(1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
CID 97039032
N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783448
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol
CID 82044560
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038867
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 91939147
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
1-(4-benzylpiperazin-1-yl)-3-bromopropan-2-ol
CID 112561170

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol (CID 71683705) is 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol is OC(CN1CCN(Cc2ccccc2)CC1)c1ccco1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol?
The InChIKey is FPQYPJURNHWDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(17-7-4-12-21-17)14-19-10-8-18(9-11-19)13-15-5-2-1-3-6-15/h1-7,12,16,20H,8-11,13-14H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol?
2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol is sourced from PubChem (CID 71683705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).