2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol

C23H30FN3O — CID 56854779

IUPAC2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CC1
InChIInChI=1S/C23H30FN3O/c24-21-6-4-19(5-7-21)20-2-1-3-23(18-20)26-10-8-22(9-11-26)27-14-12-25(13-15-27)16-17-28/h1-7,18,22,28H,8-17H2
InChIKeyIMFIGUXSCDFKSB-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 56854779) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol
PubChem CID56854779
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CC1
InChIInChI=1S/C23H30FN3O/c24-21-6-4-19(5-7-21)20-2-1-3-23(18-20)26-10-8-22(9-11-26)27-14-12-25(13-15-27)16-17-28/h1-7,18,22,28H,8-17H2
InChIKeyIMFIGUXSCDFKSB-UHFFFAOYSA-N
XLogP3.07
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one
CID 30957525
1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 45177170
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131
2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol
CID 11972047
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979
1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110545241
4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 118786117
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline
CID 152710749
[(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72907482
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol (CID 56854779) is 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CC1.
What is the InChIKey of 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is IMFIGUXSCDFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c24-21-6-4-19(5-7-21)20-2-1-3-23(18-20)26-10-8-22(9-11-26)27-14-12-25(13-15-27)16-17-28/h1-7,18,22,28H,8-17H2.
What are the key properties of 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 383.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 56854779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).