(3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol

C22H27IN2O — CID 56669479

IUPAC(3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
SMILESO[C@@H]1CCN(c2cccc(I)c2)C[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H27IN2O/c23-19-7-4-8-20(15-19)25-14-11-22(26)21(16-25)24-12-9-18(10-13-24)17-5-2-1-3-6-17/h1-8,15,18,21-22,26H,9-14,16H2/t21-,22-/m1/s1
InChIKeyXICAKLOQVWILJT-FGZHOGPDSA-N
MW462.38 g/mol
LogP4.11
Rot. Bonds3

About (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol

(3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol (PubChem CID 56669479) has the molecular formula C22H27IN2O and a molecular weight of 462.38 g/mol. Its IUPAC name is (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
PubChem CID56669479
Molecular FormulaC22H27IN2O
Molecular Weight462.38 g/mol
Exact Mass462.12
IUPAC Name(3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
SMILESO[C@@H]1CCN(c2cccc(I)c2)C[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H27IN2O/c23-19-7-4-8-20(15-19)25-14-11-22(26)21(16-25)24-12-9-18(10-13-24)17-5-2-1-3-6-17/h1-8,15,18,21-22,26H,9-14,16H2/t21-,22-/m1/s1
InChIKeyXICAKLOQVWILJT-FGZHOGPDSA-N
XLogP4.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1-[(3-iodophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride
CID 52949024
1-[(3S,4R)-1,4-diphenylpyrrolidin-3-yl]-4-phenylpiperidine
CID 102020251
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
1-(3-iodophenyl)-3-phenylpiperazine
CID 64926086
(3R,4R)-1-[(3-methylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 10451433
1-[(3-iodophenyl)methyl]-6-(4-phenylpiperidin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-ol
CID 57226664
trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol
CID 73350360
(2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 22841922
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
N-[[1-(3-iodophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081199
(3S)-1-(3-iodophenyl)-3-methylpiperazine
CID 142093679

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol (CID 56669479) is (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol is O[C@@H]1CCN(c2cccc(I)c2)C[C@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol?
The InChIKey is XICAKLOQVWILJT-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H27IN2O/c23-19-7-4-8-20(15-19)25-14-11-22(26)21(16-25)24-12-9-18(10-13-24)17-5-2-1-3-6-17/h1-8,15,18,21-22,26H,9-14,16H2/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol?
(3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol has a molecular weight of 462.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol is sourced from PubChem (CID 56669479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).