[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone

C14H19IN2O — CID 63079570

IUPAC[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
SMILESCN(C)C1CCCN(C(=O)c2cccc(I)c2)C1
InChIInChI=1S/C14H19IN2O/c1-16(2)13-7-4-8-17(10-13)14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10H2,1-2H3
InChIKeyROSPEYHIMFJNNQ-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.46
Rot. Bonds2

About [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone

[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone (PubChem CID 63079570) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
PubChem CID63079570
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
SMILESCN(C)C1CCCN(C(=O)c2cccc(I)c2)C1
InChIInChI=1S/C14H19IN2O/c1-16(2)13-7-4-8-17(10-13)14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10H2,1-2H3
InChIKeyROSPEYHIMFJNNQ-UHFFFAOYSA-N
XLogP2.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-5-iodophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103997408
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 56561398
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
(4-amino-3-methylpiperidin-1-yl)-(3-iodophenyl)methanone
CID 79879651
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 62371120
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
CID 122256358
[3-(bromomethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 80668330

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone (CID 63079570) is [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone is CN(C)C1CCCN(C(=O)c2cccc(I)c2)C1.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone?
The InChIKey is ROSPEYHIMFJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-16(2)13-7-4-8-17(10-13)14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10H2,1-2H3.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone?
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone has a molecular weight of 358.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone is sourced from PubChem (CID 63079570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).