4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol

C22H28FN3O — CID 23723473

IUPAC4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cc1
InChIInChI=1S/C22H28FN3O/c23-19-5-7-20(8-6-19)25-12-14-26(15-13-25)21-2-1-11-24(17-21)16-18-3-9-22(27)10-4-18/h3-10,21,27H,1-2,11-17H2
InChIKeyRKBBMYYVJRWFDB-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.32
Rot. Bonds4

About 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol

4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol (PubChem CID 23723473) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol
PubChem CID23723473
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cc1
InChIInChI=1S/C22H28FN3O/c23-19-5-7-20(8-6-19)25-12-14-26(15-13-25)21-2-1-11-24(17-21)16-18-3-9-22(27)10-4-18/h3-10,21,27H,1-2,11-17H2
InChIKeyRKBBMYYVJRWFDB-UHFFFAOYSA-N
XLogP3.32
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol (CID 23723473) is 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol is Oc1ccc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cc1.
What is the InChIKey of 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol?
The InChIKey is RKBBMYYVJRWFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c23-19-5-7-20(8-6-19)25-12-14-26(15-13-25)21-2-1-11-24(17-21)16-18-3-9-22(27)10-4-18/h3-10,21,27H,1-2,11-17H2.
What are the key properties of 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol?
4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol has a molecular weight of 369.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 23723473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).