[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone

C13H16FIN2O — CID 113265487

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(F)cc1I
InChIInChI=1S/C13H16FIN2O/c14-9-4-5-11(12(15)7-9)13(18)17-6-2-1-3-10(17)8-16/h4-5,7,10H,1-3,6,8,16H2
InChIKeyOFEGKSOFNBZLIW-UHFFFAOYSA-N
MW362.19 g/mol
LogP2.38
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone

[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone (PubChem CID 113265487) has the molecular formula C13H16FIN2O and a molecular weight of 362.19 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
PubChem CID113265487
Molecular FormulaC13H16FIN2O
Molecular Weight362.19 g/mol
Exact Mass362.03
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(F)cc1I
InChIInChI=1S/C13H16FIN2O/c14-9-4-5-11(12(15)7-9)13(18)17-6-2-1-3-10(17)8-16/h4-5,7,10H,1-3,6,8,16H2
InChIKeyOFEGKSOFNBZLIW-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 52.38
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

[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119468080
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone;hydrochloride
CID 119467434
[2-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119468484
[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119467502
[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 55186080
1-(4-fluoro-2-iodobenzoyl)pyrrolidine-2-carbonitrile
CID 114029268
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone (CID 113265487) is [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone is NCC1CCCCN1C(=O)c1ccc(F)cc1I.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone?
The InChIKey is OFEGKSOFNBZLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIN2O/c14-9-4-5-11(12(15)7-9)13(18)17-6-2-1-3-10(17)8-16/h4-5,7,10H,1-3,6,8,16H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone has a molecular weight of 362.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone is sourced from PubChem (CID 113265487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).