1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine

C18H24N2O3 — CID 771905

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
SMILESCOc1ccc(OC)c(CN2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C18H24N2O3/c1-21-16-5-6-18(22-2)15(12-16)13-19-7-9-20(10-8-19)14-17-4-3-11-23-17/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyBPLADNSBFZKCRW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.61
Rot. Bonds6

About 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine

1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine (PubChem CID 771905) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
PubChem CID771905
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
SMILESCOc1ccc(OC)c(CN2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C18H24N2O3/c1-21-16-5-6-18(22-2)15(12-16)13-19-7-9-20(10-8-19)14-17-4-3-11-23-17/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyBPLADNSBFZKCRW-UHFFFAOYSA-N
XLogP2.61
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 771936
1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
CID 23958927
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 37278092
1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 764461
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46684611
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
(2-aminophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946117
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 17442681
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine (CID 771905) is 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine is COc1ccc(OC)c(CN2CCN(Cc3ccco3)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine?
The InChIKey is BPLADNSBFZKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-21-16-5-6-18(22-2)15(12-16)13-19-7-9-20(10-8-19)14-17-4-3-11-23-17/h3-6,11-12H,7-10,13-14H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine?
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine has a molecular weight of 316.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 771905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).