(E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride

C24H33Cl2FN2O4 — CID 6445517

IUPAC(E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride
SMILESCOc1cc(/C=C/C(O)CCN2CCN(c3ccccc3F)CC2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C24H31FN2O4.2ClH/c1-29-22-16-18(17-23(30-2)24(22)31-3)8-9-19(28)10-11-26-12-14-27(15-13-26)21-7-5-4-6-20(21)25;;/h4-9,16-17,19,28H,10-15H2,1-3H3;2*1H/b9-8+;;
InChIKeyNOPNPWGOSOEBRI-YEUQMBKVSA-N
MW503.44 g/mol
LogP4.28
Rot. Bonds9

About (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride

(E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride (PubChem CID 6445517) has the molecular formula C24H33Cl2FN2O4 and a molecular weight of 503.44 g/mol. Its IUPAC name is (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride.

Molecular Properties

Compound Name(E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride
PubChem CID6445517
Molecular FormulaC24H33Cl2FN2O4
Molecular Weight503.44 g/mol
Exact Mass502.18
IUPAC Name(E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride
SMILESCOc1cc(/C=C/C(O)CCN2CCN(c3ccccc3F)CC2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C24H31FN2O4.2ClH/c1-29-22-16-18(17-23(30-2)24(22)31-3)8-9-19(28)10-11-26-12-14-27(15-13-26)21-7-5-4-6-20(21)25;;/h4-9,16-17,19,28H,10-15H2,1-3H3;2*1H/b9-8+;;
InChIKeyNOPNPWGOSOEBRI-YEUQMBKVSA-N
XLogP4.28
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
(E)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-en-1-one
CID 26590610
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 20535825
(E)-5-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
CID 6437941
1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol
CID 15631758
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
1-[(3R)-3-(2-fluorophenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine
CID 93000836
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride?
The IUPAC name of (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride (CID 6445517) is (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride.
What is the SMILES notation for (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride?
The canonical SMILES for (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride is COc1cc(/C=C/C(O)CCN2CCN(c3ccccc3F)CC2)cc(OC)c1OC.Cl.Cl.
What is the InChIKey of (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride?
The InChIKey is NOPNPWGOSOEBRI-YEUQMBKVSA-N. The full InChI is InChI=1S/C24H31FN2O4.2ClH/c1-29-22-16-18(17-23(30-2)24(22)31-3)8-9-19(28)10-11-26-12-14-27(15-13-26)21-7-5-4-6-20(21)25;;/h4-9,16-17,19,28H,10-15H2,1-3H3;2*1H/b9-8+;;.
What are the key properties of (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride?
(E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride has a molecular weight of 503.44 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol;dihydrochloride is sourced from PubChem (CID 6445517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).