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

C18H21FN2O — CID 782213

IUPAC1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3ccccc3F)CC2)c1
InChIInChI=1S/C18H21FN2O/c1-22-17-7-4-6-16(13-17)21-11-9-20(10-12-21)14-15-5-2-3-8-18(15)19/h2-8,13H,9-12,14H2,1H3
InChIKeyKPJYLNZXMOQSCP-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.16
Rot. Bonds4

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

1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 782213) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine
PubChem CID782213
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3ccccc3F)CC2)c1
InChIInChI=1S/C18H21FN2O/c1-22-17-7-4-6-16(13-17)21-11-9-20(10-12-21)14-15-5-2-3-8-18(15)19/h2-8,13H,9-12,14H2,1H3
InChIKeyKPJYLNZXMOQSCP-UHFFFAOYSA-N
XLogP3.16
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)piperazine
CID 81430
3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1,6-Bis(4-(3-methoxyphenyl)piperazin-1-yl)hexane
CID 11568942
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
1-(4-bromo-3-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 9801165
US9205085, Msx-205
CID 23656764
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine (CID 782213) is 1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(Cc3ccccc3F)CC2)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is KPJYLNZXMOQSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-22-17-7-4-6-16(13-17)21-11-9-20(10-12-21)14-15-5-2-3-8-18(15)19/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine?
1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 300.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 782213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).