(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone

C24H28F2N2O2 — CID 53391838

IUPAC(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2O)CC1
InChIInChI=1S/C24H28F2N2O2/c25-20-5-1-17(2-6-20)15-27-12-11-23(29)22(16-27)28-13-9-19(10-14-28)24(30)18-3-7-21(26)8-4-18/h1-8,19,22-23,29H,9-16H2/t22-,23-/m0/s1
InChIKeyYOEJIDBBIFJFMF-GOTSBHOMSA-N
MW414.50 g/mol
LogP3.49
Rot. Bonds5

About (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone (PubChem CID 53391838) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
PubChem CID53391838
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC Name(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2O)CC1
InChIInChI=1S/C24H28F2N2O2/c25-20-5-1-17(2-6-20)15-27-12-11-23(29)22(16-27)28-13-9-19(10-14-28)24(30)18-3-7-21(26)8-4-18/h1-8,19,22-23,29H,9-16H2/t22-,23-/m0/s1
InChIKeyYOEJIDBBIFJFMF-GOTSBHOMSA-N
XLogP3.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-[(4-fluorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 449639
(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-4-yl]piperidin-4-yl]methanone
CID 53391632
trans-1-(4-Fluorobenzyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 9999116
3-[4-[2-(4-Fluorophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-1-piperazinyl]-2-methyl-1-phenyl-1-propanone
CID 10004020
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 10316732
3-{4-[2-(4-Ethyl-piperazin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-piperazin-1-yl}-2-methyl-1-phenyl-propan-1-one
CID 10928744
1-(3-{[4-(4-Fluorobenzyl)-3-(2-hydroxyethyl)-1-piperazinyl]methyl}phenyl)ethanone
CID 16191941
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidino)piperidino]-(3-phenylphenyl)methanone
CID 24817881
(4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone
CID 46197007
(4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride
CID 46197123
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 49861239
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 49861246

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone (CID 53391838) is (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2O)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone?
The InChIKey is YOEJIDBBIFJFMF-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c25-20-5-1-17(2-6-20)15-27-12-11-23(29)22(16-27)28-13-9-19(10-14-28)24(30)18-3-7-21(26)8-4-18/h1-8,19,22-23,29H,9-16H2/t22-,23-/m0/s1.
What are the key properties of (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone has a molecular weight of 414.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 53391838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).