(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol

C20H23FINO — CID 10994400

IUPAC(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1
InChIInChI=1S/C20H23FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17,20,24H,9-14H2
InChIKeyUGKMIYGDPWUKLG-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.42
Rot. Bonds5

About (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol

(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol (PubChem CID 10994400) has the molecular formula C20H23FINO and a molecular weight of 439.31 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol
PubChem CID10994400
Molecular FormulaC20H23FINO
Molecular Weight439.31 g/mol
Exact Mass439.08
IUPAC Name(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1
InChIInChI=1S/C20H23FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17,20,24H,9-14H2
InChIKeyUGKMIYGDPWUKLG-UHFFFAOYSA-N
XLogP4.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Diphenidol
CID 3055
Diphenidol Hydrochloride
CID 66266
Eliprodil
CID 60703
Glemanserin
CID 71781
Lobelanidine
CID 442646
[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
10S-hydroxylobel-7-ene
CID 10687251
8R-hydroxylobelane
CID 10782198
10S-hydroxylobelane
CID 10782199
8S-hydroxylobel-9-ene
CID 12018177

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol (CID 10994400) is (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol is OC(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol?
The InChIKey is UGKMIYGDPWUKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17,20,24H,9-14H2.
What are the key properties of (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol?
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol has a molecular weight of 439.31 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 (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 10994400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).