(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol

C22H24FNO — CID 102324966

IUPAC(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@@H](/C=C/c2ccccc2F)N1Cc1ccccc1
InChIInChI=1S/C22H24FNO/c1-2-19-14-21(25)15-20(13-12-18-10-6-7-11-22(18)23)24(19)16-17-8-4-3-5-9-17/h2-13,19-21,25H,1,14-16H2/b13-12+/t19-,20+,21+/m0/s1
InChIKeyUGBSUZDKJSGDER-BDRHDCMESA-N
MW337.44 g/mol
LogP4.42
Rot. Bonds5

About (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol

(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol (PubChem CID 102324966) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol
PubChem CID102324966
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@@H](/C=C/c2ccccc2F)N1Cc1ccccc1
InChIInChI=1S/C22H24FNO/c1-2-19-14-21(25)15-20(13-12-18-10-6-7-11-22(18)23)24(19)16-17-8-4-3-5-9-17/h2-13,19-21,25H,1,14-16H2/b13-12+/t19-,20+,21+/m0/s1
InChIKeyUGBSUZDKJSGDER-BDRHDCMESA-N
XLogP4.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol with MolForge

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Related Compounds

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
CID 98840
1-Benzylpiperidin-3-ol
CID 85773
(3R,4R)-1-[(4-fluorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 449639
1-Benzhydryl-4-butylpiperidin-4-ol
CID 22970051
1-Benzhydryl-4-cyclopropylpiperidin-4-ol
CID 44430024
1-Benzylpiperidin-4-ol
CID 78461
(1-Benzylpiperidin-4-yl)methanol
CID 736802
1-Benzhydryl-4-tert-butylpiperidin-4-ol
CID 10314141
1-Benzhydryl-4-isopropylpiperidin-4-ol
CID 44430025
trans-1-(4-Fluorobenzyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 9999116
2-[4-Cyclobutyl-1-(3,4-difluorobenzyl)-2-piperazinyl]ethanol
CID 23723610
[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol?
The IUPAC name of (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol (CID 102324966) is (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol.
What is the SMILES notation for (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol?
The canonical SMILES for (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol is C=C[C@H]1C[C@@H](O)C[C@@H](/C=C/c2ccccc2F)N1Cc1ccccc1.
What is the InChIKey of (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol?
The InChIKey is UGBSUZDKJSGDER-BDRHDCMESA-N. The full InChI is InChI=1S/C22H24FNO/c1-2-19-14-21(25)15-20(13-12-18-10-6-7-11-22(18)23)24(19)16-17-8-4-3-5-9-17/h2-13,19-21,25H,1,14-16H2/b13-12+/t19-,20+,21+/m0/s1.
What are the key properties of (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol?
(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol has a molecular weight of 337.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-4-ol is sourced from PubChem (CID 102324966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).