2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol

C18H21FN2O2 — CID 783178

IUPAC2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN2CCN(c3ccccc3F)CC2)c(O)c1
InChIInChI=1S/C18H21FN2O2/c1-23-15-7-6-14(18(22)12-15)13-20-8-10-21(11-9-20)17-5-3-2-4-16(17)19/h2-7,12,22H,8-11,13H2,1H3
InChIKeyWIIGKBYUKUWAMX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.86
Rot. Bonds4

About 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol (PubChem CID 783178) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol
PubChem CID783178
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol
SMILESCOc1ccc(CN2CCN(c3ccccc3F)CC2)c(O)c1
InChIInChI=1S/C18H21FN2O2/c1-23-15-7-6-14(18(22)12-15)13-20-8-10-21(11-9-20)17-5-3-2-4-16(17)19/h2-7,12,22H,8-11,13H2,1H3
InChIKeyWIIGKBYUKUWAMX-UHFFFAOYSA-N
XLogP2.86
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

CID 783532
CID 783532
CID 2466853
CID 2466853
CID 785703
CID 785703
CID 792721
CID 792721
CID 1377353
CID 1377353
CID 11492761
CID 11492761
CID 763644
CID 763644
CID 783076
CID 783076
CID 1376877
CID 1376877
CID 1376934
CID 1376934
CID 2462079
CID 2462079
CID 10570263
CID 10570263

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol (CID 783178) is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol is COc1ccc(CN2CCN(c3ccccc3F)CC2)c(O)c1.
What is the InChIKey of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol?
The InChIKey is WIIGKBYUKUWAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-23-15-7-6-14(18(22)12-15)13-20-8-10-21(11-9-20)17-5-3-2-4-16(17)19/h2-7,12,22H,8-11,13H2,1H3.
What are the key properties of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol?
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol has a molecular weight of 316.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methoxyphenol is sourced from PubChem (CID 783178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).