[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone

C23H28FN3O2 — CID 2187062

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2O)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H28FN3O2/c24-20-6-2-3-7-21(20)26-13-15-27(16-14-26)23(29)18-9-11-25(12-10-18)17-19-5-1-4-8-22(19)28/h1-8,18,28H,9-17H2
InChIKeyANPWRYMUHBKATI-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.09
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone (PubChem CID 2187062) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone
PubChem CID2187062
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2O)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H28FN3O2/c24-20-6-2-3-7-21(20)26-13-15-27(16-14-26)23(29)18-9-11-25(12-10-18)17-19-5-1-4-8-22(19)28/h1-8,18,28H,9-17H2
InChIKeyANPWRYMUHBKATI-UHFFFAOYSA-N
XLogP3.09
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone (CID 2187062) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone is O=C(C1CCN(Cc2ccccc2O)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is ANPWRYMUHBKATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-20-6-2-3-7-21(20)26-13-15-27(16-14-26)23(29)18-9-11-25(12-10-18)17-19-5-1-4-8-22(19)28/h1-8,18,28H,9-17H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 397.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 2187062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).