1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C19H26N2O4 — CID 771936

IUPAC1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccco3)CC2)c(OC)c1OC
InChIInChI=1S/C19H26N2O4/c1-22-17-7-6-15(18(23-2)19(17)24-3)13-20-8-10-21(11-9-20)14-16-5-4-12-25-16/h4-7,12H,8-11,13-14H2,1-3H3
InChIKeyRHXQSEUKWPWGBE-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.62
Rot. Bonds7

About 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 771936) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID771936
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccco3)CC2)c(OC)c1OC
InChIInChI=1S/C19H26N2O4/c1-22-17-7-6-15(18(23-2)19(17)24-3)13-20-8-10-21(11-9-20)14-16-5-4-12-25-16/h4-7,12H,8-11,13-14H2,1-3H3
InChIKeyRHXQSEUKWPWGBE-UHFFFAOYSA-N
XLogP2.62
TPSA47.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
CID 23958927
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 9069712
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioyl]sulfanyl 4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbodithioate
CID 88521116

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 771936) is 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3ccco3)CC2)c(OC)c1OC.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is RHXQSEUKWPWGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-22-17-7-6-15(18(23-2)19(17)24-3)13-20-8-10-21(11-9-20)14-16-5-4-12-25-16/h4-7,12H,8-11,13-14H2,1-3H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 346.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 771936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).