1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium

C17H24N2O2+2 — CID 4741925

IUPAC1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOc1ccc(C[NH+]2CC[NH+](Cc3ccco3)CC2)cc1
InChIInChI=1S/C17H22N2O2/c1-20-16-6-4-15(5-7-16)13-18-8-10-19(11-9-18)14-17-3-2-12-21-17/h2-7,12H,8-11,13-14H2,1H3/p+2
InChIKeyMNDXCUZINAYLGZ-UHFFFAOYSA-P
MW288.39 g/mol
LogP-0.23
Rot. Bonds5

About 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium

1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium (PubChem CID 4741925) has the molecular formula C17H24N2O2+2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
PubChem CID4741925
Molecular FormulaC17H24N2O2+2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOc1ccc(C[NH+]2CC[NH+](Cc3ccco3)CC2)cc1
InChIInChI=1S/C17H22N2O2/c1-20-16-6-4-15(5-7-16)13-18-8-10-19(11-9-18)14-17-3-2-12-21-17/h2-7,12H,8-11,13-14H2,1H3/p+2
InChIKeyMNDXCUZINAYLGZ-UHFFFAOYSA-P
XLogP-0.23
TPSA31.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium
CID 4741914
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium
CID 6961721
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 2162791
1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755149
1-ethyl-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium
CID 7026518
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
1-(furan-2-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 117246167
(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 7027549
(2S,6R)-4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2,6-dimethylmorpholin-4-ium
CID 6937934
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6945656
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7098465

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium (CID 4741925) is 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium is COc1ccc(C[NH+]2CC[NH+](Cc3ccco3)CC2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium?
The InChIKey is MNDXCUZINAYLGZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H22N2O2/c1-20-16-6-4-15(5-7-16)13-18-8-10-19(11-9-18)14-17-3-2-12-21-17/h2-7,12H,8-11,13-14H2,1H3/p+2.
What are the key properties of 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium?
1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium has a molecular weight of 288.39 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 4741925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).