[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone

C25H23F2NO2 — CID 22860804

IUPAC[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CN(Cc2ccccc2)CC[C@]1(O)c1ccc(F)cc1
InChIInChI=1S/C25H23F2NO2/c26-21-10-6-19(7-11-21)24(29)23-17-28(16-18-4-2-1-3-5-18)15-14-25(23,30)20-8-12-22(27)13-9-20/h1-13,23,30H,14-17H2/t23-,25+/m1/s1
InChIKeyQAVUXRCBZWFRJY-NOZRDPDXSA-N
MW407.46 g/mol
LogP4.56
Rot. Bonds5

About [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone

[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 22860804) has the molecular formula C25H23F2NO2 and a molecular weight of 407.46 g/mol. Its IUPAC name is [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID22860804
Molecular FormulaC25H23F2NO2
Molecular Weight407.46 g/mol
Exact Mass407.17
IUPAC Name[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CN(Cc2ccccc2)CC[C@]1(O)c1ccc(F)cc1
InChIInChI=1S/C25H23F2NO2/c26-21-10-6-19(7-11-21)24(29)23-17-28(16-18-4-2-1-3-5-18)15-14-25(23,30)20-8-12-22(27)13-9-20/h1-13,23,30H,14-17H2/t23-,25+/m1/s1
InChIKeyQAVUXRCBZWFRJY-NOZRDPDXSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-1-ethyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone
CID 6542937
(3S,4R)-1-benzyl-4-(3,4-difluorophenyl)-4-hydroxypiperidine-3-carboxylic acid
CID 58083399
(4-fluorophenyl)-[(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
CID 7298621
1-benzyl-4-(3-fluoro-4-methylphenyl)-4-hydroxypiperidine-3-carboxylic acid
CID 90910968
[(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 11191105
[(3R,4S)-1-ethyl-4-hydroxy-4-(4-phenoxyphenyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone;hydrochloride
CID 171348492
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
[(3S,4R)-1-benzyl-4-hydroxy-4-thiophen-2-ylpiperidin-3-yl]-thiophen-2-ylmethanone
CID 25346369
[(3S,4S)-1-benzyl-4-hydroxy-4-thiophen-2-ylpiperidin-3-yl]-thiophen-2-ylmethanone
CID 1278627
[(3R,4S)-1-benzyl-4-hydroxy-4-thiophen-2-ylpiperidin-3-yl]-thiophen-2-ylmethanone
CID 7792256
[(3R,4R)-1-benzyl-4-hydroxy-4-thiophen-2-ylpiperidin-3-yl]-thiophen-2-ylmethanone
CID 7792252

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone (CID 22860804) is [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)[C@H]1CN(Cc2ccccc2)CC[C@]1(O)c1ccc(F)cc1.
What is the InChIKey of [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is QAVUXRCBZWFRJY-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H23F2NO2/c26-21-10-6-19(7-11-21)24(29)23-17-28(16-18-4-2-1-3-5-18)15-14-25(23,30)20-8-12-22(27)13-9-20/h1-13,23,30H,14-17H2/t23-,25+/m1/s1.
What are the key properties of [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone?
[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 407.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 22860804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).