1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine

C19H26N2O4 — CID 86817748

IUPAC1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine
SMILESCOc1cc(N2CCN(C(C)c3ccco3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O4/c1-14(16-6-5-11-25-16)20-7-9-21(10-8-20)15-12-17(22-2)19(24-4)18(13-15)23-3/h5-6,11-14H,7-10H2,1-4H3
InChIKeyDUWMOWFLDZJSCS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.19
Rot. Bonds6

About 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine

1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine (PubChem CID 86817748) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine
PubChem CID86817748
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine
SMILESCOc1cc(N2CCN(C(C)c3ccco3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O4/c1-14(16-6-5-11-25-16)20-7-9-21(10-8-20)15-12-17(22-2)19(24-4)18(13-15)23-3/h5-6,11-14H,7-10H2,1-4H3
InChIKeyDUWMOWFLDZJSCS-UHFFFAOYSA-N
XLogP3.19
TPSA47.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(furan-2-yl)ethyl]thiomorpholine
CID 130749822
1-[furan-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4594908
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422
(2R)-2-(furan-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine
CID 9161352
(2S)-2-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 97200415
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one
CID 43535702
1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine
CID 22021972
N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 94017976
[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]hydrazine
CID 91547885
1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine
CID 88972457
[1-[(1S)-1-(furan-2-yl)ethyl]piperidin-4-yl]methanol
CID 95934404
1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
CID 10179408

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine (CID 86817748) is 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine is COc1cc(N2CCN(C(C)c3ccco3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine?
The InChIKey is DUWMOWFLDZJSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(16-6-5-11-25-16)20-7-9-21(10-8-20)15-12-17(22-2)19(24-4)18(13-15)23-3/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine?
1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine has a molecular weight of 346.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)piperazine is sourced from PubChem (CID 86817748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).