(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone

C13H15ClINO2 — CID 103734767

IUPAC(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1
InChIInChI=1S/C13H15ClINO2/c1-18-10-4-6-16(7-5-10)13(17)9-2-3-12(15)11(14)8-9/h2-3,8,10H,4-7H2,1H3
InChIKeyQSMYSENYCUWRLA-UHFFFAOYSA-N
MW379.63 g/mol
LogP3.20
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone

(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 103734767) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID103734767
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC Name(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1
InChIInChI=1S/C13H15ClINO2/c1-18-10-4-6-16(7-5-10)13(17)9-2-3-12(15)11(14)8-9/h2-3,8,10H,4-7H2,1H3
InChIKeyQSMYSENYCUWRLA-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 53.20
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

(3-chloro-4-iodophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533788
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216506
[4-(1-chloroethyl)piperidin-1-yl]-(3-chloro-4-iodophenyl)methanone
CID 106838833
1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide
CID 103734766
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(3-chloro-4-iodophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 103805114
(3-chloro-4-iodophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 103807433
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
CID 103804969
[4-(2-aminoethyl)piperidin-1-yl]-(3-chloro-4-iodophenyl)methanone
CID 103209483
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3-chloro-4-iodophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 103222128
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone (CID 103734767) is (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is QSMYSENYCUWRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO2/c1-18-10-4-6-16(7-5-10)13(17)9-2-3-12(15)11(14)8-9/h2-3,8,10H,4-7H2,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone?
(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 379.63 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 103734767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).