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

C11H14INO2S — CID 79693125

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(CO)CC1
InChIInChI=1S/C11H14INO2S/c12-10-5-9(7-16-10)11(15)13-3-1-8(6-14)2-4-13/h5,7-8,14H,1-4,6H2
InChIKeyDRBSJDYVGNVPJJ-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.20
Rot. Bonds2

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

[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone (PubChem CID 79693125) has the molecular formula C11H14INO2S and a molecular weight of 351.21 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
PubChem CID79693125
Molecular FormulaC11H14INO2S
Molecular Weight351.21 g/mol
Exact Mass350.98
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(CO)CC1
InChIInChI=1S/C11H14INO2S/c12-10-5-9(7-16-10)11(15)13-3-1-8(6-14)2-4-13/h5,7-8,14H,1-4,6H2
InChIKeyDRBSJDYVGNVPJJ-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.20
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

[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 115746358
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
2-[1-(5-iodothiophene-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79684794
1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
CID 78948632
(5-iodothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539259
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
CID 113233340
[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949659
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide
CID 78949086

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone (CID 79693125) is [4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone?
The InChIKey is DRBSJDYVGNVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2S/c12-10-5-9(7-16-10)11(15)13-3-1-8(6-14)2-4-13/h5,7-8,14H,1-4,6H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone has a molecular weight of 351.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 79693125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).