1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol

C20H24INO — CID 15230466

IUPAC1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol
SMILESOC(Cc1cccc(I)c1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H24INO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2
InChIKeyUVPPXDJDDXLXTL-UHFFFAOYSA-N
MW421.32 g/mol
LogP4.07
Rot. Bonds5

About 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol

1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol (PubChem CID 15230466) has the molecular formula C20H24INO and a molecular weight of 421.32 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol
PubChem CID15230466
Molecular FormulaC20H24INO
Molecular Weight421.32 g/mol
Exact Mass421.09
IUPAC Name1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol
SMILESOC(Cc1cccc(I)c1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H24INO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2
InChIKeyUVPPXDJDDXLXTL-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.07
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

(-)-Vesamicol
CID 659840
Glemanserin
CID 71781
Vesamicol
CID 5662
Vesamicol hydrochloride
CID 212231
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
Diphemethoxidine
CID 65607
Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
CID 10619
8R-hydroxylobelane
CID 10782198
10S-hydroxylobelane
CID 10782199
Vesamicol hydrochloride, (+/-)-
CID 6603219
5-Iodobenzovesamicol
CID 124499

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol (CID 15230466) is 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol is OC(Cc1cccc(I)c1)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol?
The InChIKey is UVPPXDJDDXLXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24INO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2.
What are the key properties of 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol?
1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol has a molecular weight of 421.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 15230466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).