(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

C14H17ClINO2 — CID 102677669

IUPAC(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc(Cl)ccc2I)CCC1C
InChIInChI=1S/C14H17ClINO2/c1-9-5-6-17(8-13(9)19-2)14(18)11-7-10(15)3-4-12(11)16/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyLBCCLOPMZMHQED-UHFFFAOYSA-N
MW393.65 g/mol
LogP3.44
Rot. Bonds2

About (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102677669) has the molecular formula C14H17ClINO2 and a molecular weight of 393.65 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102677669
Molecular FormulaC14H17ClINO2
Molecular Weight393.65 g/mol
Exact Mass393.00
IUPAC Name(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc(Cl)ccc2I)CCC1C
InChIInChI=1S/C14H17ClINO2/c1-9-5-6-17(8-13(9)19-2)14(18)11-7-10(15)3-4-12(11)16/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyLBCCLOPMZMHQED-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.65
LogP ≤ 53.44
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

(5-chloro-2-nitrophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677692
(4-amino-3-methylpiperidin-1-yl)-(5-chloro-2-iodophenyl)methanone;hydrochloride
CID 119592350
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102966244
(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677604
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(3-amino-2-bromophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102955000
(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954965
1-(5-chloro-2-iodobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 103932758
(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646486

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102677669) is (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2cc(Cl)ccc2I)CCC1C.
What is the InChIKey of (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is LBCCLOPMZMHQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClINO2/c1-9-5-6-17(8-13(9)19-2)14(18)11-7-10(15)3-4-12(11)16/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 393.65 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102677669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).