1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride

C20H26ClFN2O3 — CID 3062132

IUPAC1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C20H25FN2O3.ClH/c1-24-18-12-15(13-19(25-2)20(18)26-3)14-22-8-10-23(11-9-22)17-6-4-16(21)5-7-17;/h4-7,12-13H,8-11,14H2,1-3H3;1H
InChIKeyVBEFHINCTCYNJA-UHFFFAOYSA-N
MW396.89 g/mol
LogP3.60
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride

1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 3062132) has the molecular formula C20H26ClFN2O3 and a molecular weight of 396.89 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID3062132
Molecular FormulaC20H26ClFN2O3
Molecular Weight396.89 g/mol
Exact Mass396.16
IUPAC Name1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C20H25FN2O3.ClH/c1-24-18-12-15(13-19(25-2)20(18)26-3)14-22-8-10-23(11-9-22)17-6-4-16(21)5-7-17;/h4-7,12-13H,8-11,14H2,1-3H3;1H
InChIKeyVBEFHINCTCYNJA-UHFFFAOYSA-N
XLogP3.60
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.89
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride (CID 3062132) is 1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride is COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is VBEFHINCTCYNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3.ClH/c1-24-18-12-15(13-19(25-2)20(18)26-3)14-22-8-10-23(11-9-22)17-6-4-16(21)5-7-17;/h4-7,12-13H,8-11,14H2,1-3H3;1H.
What are the key properties of 1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
1-(4-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 396.89 g/mol, XLogP of 3.60, 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-[(3,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 3062132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).