[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone

C14H18INO — CID 103715014

IUPAC[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(I)c1
InChIInChI=1S/C14H18INO/c1-10-5-3-6-11(2)16(10)14(17)12-7-4-8-13(15)9-12/h4,7-11H,3,5-6H2,1-2H3/t10-,11+
InChIKeyZNQAWDDFLLHERQ-PHIMTYICSA-N
MW343.21 g/mol
LogP3.69
Rot. Bonds1

About [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone

[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone (PubChem CID 103715014) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
PubChem CID103715014
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(I)c1
InChIInChI=1S/C14H18INO/c1-10-5-3-6-11(2)16(10)14(17)12-7-4-8-13(15)9-12/h4,7-11H,3,5-6H2,1-2H3/t10-,11+
InChIKeyZNQAWDDFLLHERQ-PHIMTYICSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107036490
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 3-iodobenzoate
CID 7704931
(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628294
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 95319434
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(3-iodophenyl)methanone
CID 80677856
[3-(3-aminoprop-1-ynyl)phenyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968309
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
CID 55226480
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63079570

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone (CID 103715014) is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone is C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(I)c1.
What is the InChIKey of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone?
The InChIKey is ZNQAWDDFLLHERQ-PHIMTYICSA-N. The full InChI is InChI=1S/C14H18INO/c1-10-5-3-6-11(2)16(10)14(17)12-7-4-8-13(15)9-12/h4,7-11H,3,5-6H2,1-2H3/t10-,11+.
What are the key properties of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone?
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone has a molecular weight of 343.21 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone is sourced from PubChem (CID 103715014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).