[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride

C15H22ClIN2O2 — CID 119661929

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C15H21IN2O2.ClH/c16-13-4-1-3-12(11-13)15(19)18-8-5-14(6-9-18)20-10-2-7-17;/h1,3-4,11,14H,2,5-10,17H2;1H
InChIKeyUQHALFIOXQPMDT-UHFFFAOYSA-N
MW424.71 g/mol
LogP2.68
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride (PubChem CID 119661929) has the molecular formula C15H22ClIN2O2 and a molecular weight of 424.71 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
PubChem CID119661929
Molecular FormulaC15H22ClIN2O2
Molecular Weight424.71 g/mol
Exact Mass424.04
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C15H21IN2O2.ClH/c16-13-4-1-3-12(11-13)15(19)18-8-5-14(6-9-18)20-10-2-7-17;/h1,3-4,11,14H,2,5-10,17H2;1H
InChIKeyUQHALFIOXQPMDT-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride 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-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119663964
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone;hydrochloride
CID 119663088
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 119664072
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 119662009
[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone
CID 119662741
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 119661915
[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119662498
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119663690
[4-(3-aminopropoxy)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119663024

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride (CID 119661929) is [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride is Cl.NCCCOC1CCN(C(=O)c2cccc(I)c2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride?
The InChIKey is UQHALFIOXQPMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2.ClH/c16-13-4-1-3-12(11-13)15(19)18-8-5-14(6-9-18)20-10-2-7-17;/h1,3-4,11,14H,2,5-10,17H2;1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride has a molecular weight of 424.71 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride is sourced from PubChem (CID 119661929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).