1-iodo-N-(4-methoxyphenyl)piperidin-3-amine

C12H17IN2O — CID 166817113

IUPAC1-iodo-N-(4-methoxyphenyl)piperidin-3-amine
SMILESCOc1ccc(NC2CCCN(I)C2)cc1
InChIInChI=1S/C12H17IN2O/c1-16-12-6-4-10(5-7-12)14-11-3-2-8-15(13)9-11/h4-7,11,14H,2-3,8-9H2,1H3
InChIKeyCFZYXTKLVOLECU-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.92
Rot. Bonds3

About 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine

1-iodo-N-(4-methoxyphenyl)piperidin-3-amine (PubChem CID 166817113) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-iodo-N-(4-methoxyphenyl)piperidin-3-amine
PubChem CID166817113
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name1-iodo-N-(4-methoxyphenyl)piperidin-3-amine
SMILESCOc1ccc(NC2CCCN(I)C2)cc1
InChIInChI=1S/C12H17IN2O/c1-16-12-6-4-10(5-7-12)14-11-3-2-8-15(13)9-11/h4-7,11,14H,2-3,8-9H2,1H3
InChIKeyCFZYXTKLVOLECU-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95724781
(3S)-N-(4-methoxyphenyl)thian-3-amine
CID 94885728
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25279248
1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-phenylsulfanylethanone
CID 42101235
(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
CID 95724010
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955
N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide
CID 95727361
N-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121635
N-(4-methoxyphenyl)spiro[4.5]decan-8-amine
CID 114817121
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023

Frequently Asked Questions

What is the IUPAC name of 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine?
The IUPAC name of 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine (CID 166817113) is 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine is COc1ccc(NC2CCCN(I)C2)cc1.
What is the InChIKey of 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine?
The InChIKey is CFZYXTKLVOLECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-16-12-6-4-10(5-7-12)14-11-3-2-8-15(13)9-11/h4-7,11,14H,2-3,8-9H2,1H3.
What are the key properties of 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine?
1-iodo-N-(4-methoxyphenyl)piperidin-3-amine has a molecular weight of 332.19 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-N-(4-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 166817113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).