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

C20H25FN2O3 — CID 1377352

IUPAC1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H25FN2O3/c1-24-18-9-4-15(19(25-2)20(18)26-3)14-22-10-12-23(13-11-22)17-7-5-16(21)6-8-17/h4-9H,10-14H2,1-3H3
InChIKeyUKZQVFRIBIZDOX-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.17
Rot. Bonds6

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

1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 1377352) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID1377352
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H25FN2O3/c1-24-18-9-4-15(19(25-2)20(18)26-3)14-22-10-12-23(13-11-22)17-7-5-16(21)6-8-17/h4-9H,10-14H2,1-3H3
InChIKeyUKZQVFRIBIZDOX-UHFFFAOYSA-N
XLogP3.17
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Lomerizine
CID 3949
Lomerizine Hydrochloride
CID 122125
4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline
CID 364716
LOMERIZINE DiHCl
CID 13579832
Dimethyl-{4-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenyl}-amine
CID 15696370
4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 373798
4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 373800
4-((4-(2-Fluorophenyl)piperazin-1-yl)methyl)-6,7-dihydroxy-2H-chromen-2-one (6)
CID 6109852
1-(3-Ethoxy-4-methoxybenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1067896
(2,3-Dimethoxybenzyl)[4-(1-piperidinyl)phenyl]amine
CID 834331
1-(3,5-Dimethoxy-benzyl)-4-(2,3-dimethoxy-benzyl)-piperazine
CID 1222695
6-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2466853

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 1377352) is 1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(OC)c1OC.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is UKZQVFRIBIZDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-24-18-9-4-15(19(25-2)20(18)26-3)14-22-10-12-23(13-11-22)17-7-5-16(21)6-8-17/h4-9H,10-14H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 360.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1377352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).