(3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone

C14H19IN2O — CID 114029419

IUPAC(3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C)C(N)C2)c1I
InChIInChI=1S/C14H19IN2O/c1-9-6-7-17(8-12(9)16)14(18)11-5-3-4-10(2)13(11)15/h3-5,9,12H,6-8,16H2,1-2H3
InChIKeyUHLPQFFGWRNGAU-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.41
Rot. Bonds1

About (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone

(3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone (PubChem CID 114029419) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
PubChem CID114029419
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC Name(3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C)C(N)C2)c1I
InChIInChI=1S/C14H19IN2O/c1-9-6-7-17(8-12(9)16)14(18)11-5-3-4-10(2)13(11)15/h3-5,9,12H,6-8,16H2,1-2H3
InChIKeyUHLPQFFGWRNGAU-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(2-bromo-3-methylphenyl)methanone
CID 114023943
(4-ethyl-3-methylpiperazin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103846837
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(4-ethylazepan-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103674673
(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103639314
(2-iodo-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 103615023
(3R,4R)-4-cyclopropyl-1-(2-iodo-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120979048
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
(2-iodo-3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039262
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672067
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone?
The IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone (CID 114029419) is (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone.
What is the SMILES notation for (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone?
The canonical SMILES for (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC(C)C(N)C2)c1I.
What is the InChIKey of (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone?
The InChIKey is UHLPQFFGWRNGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-9-6-7-17(8-12(9)16)14(18)11-5-3-4-10(2)13(11)15/h3-5,9,12H,6-8,16H2,1-2H3.
What are the key properties of (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone?
(3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone has a molecular weight of 358.22 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone is sourced from PubChem (CID 114029419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).