[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone

C16H16INO2S — CID 78949659

IUPAC[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H16INO2S/c17-15-9-13(10-21-15)16(20)18-7-5-12(6-8-18)11-1-3-14(19)4-2-11/h1-4,9-10,12,19H,5-8H2
InChIKeyKLKLBUDKNCVYOI-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.08
Rot. Bonds2

About [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone

[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone (PubChem CID 78949659) has the molecular formula C16H16INO2S and a molecular weight of 413.28 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
PubChem CID78949659
Molecular FormulaC16H16INO2S
Molecular Weight413.28 g/mol
Exact Mass412.99
IUPAC Name[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H16INO2S/c17-15-9-13(10-21-15)16(20)18-7-5-12(6-8-18)11-1-3-14(19)4-2-11/h1-4,9-10,12,19H,5-8H2
InChIKeyKLKLBUDKNCVYOI-UHFFFAOYSA-N
XLogP4.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693125
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
CID 78948632
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
CID 113233340
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 78949980
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone (CID 78949659) is [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The InChIKey is KLKLBUDKNCVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2S/c17-15-9-13(10-21-15)16(20)18-7-5-12(6-8-18)11-1-3-14(19)4-2-11/h1-4,9-10,12,19H,5-8H2.
What are the key properties of [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone?
[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone has a molecular weight of 413.28 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 78949659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).