(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C15H20INO — CID 114593400

IUPAC(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cccc(I)c2)C1
InChIInChI=1S/C15H20INO/c1-10-7-11(2)12(3)17(9-10)15(18)13-5-4-6-14(16)8-13/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyDLFGWEJPEIROBX-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.80
Rot. Bonds1

About (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114593400) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114593400
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC Name(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cccc(I)c2)C1
InChIInChI=1S/C15H20INO/c1-10-7-11(2)12(3)17(9-10)15(18)13-5-4-6-14(16)8-13/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyDLFGWEJPEIROBX-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.80
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

[3-(3-aminoprop-1-ynyl)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594692
(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107689677
(4-fluoro-3-sulfanylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107036405
(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596631
(3-hydroxy-4-nitrophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103280777
(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103274732
(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593572
(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592936
(6-fluoro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592943
[4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596549
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 103715014

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114593400) is (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2cccc(I)c2)C1.
What is the InChIKey of (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is DLFGWEJPEIROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-10-7-11(2)12(3)17(9-10)15(18)13-5-4-6-14(16)8-13/h4-6,8,10-12H,7,9H2,1-3H3.
What are the key properties of (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 357.24 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114593400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).