1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine

C14H21IN2 — CID 113283047

IUPAC1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C14H21IN2/c1-14(16-2)7-9-17(10-8-14)11-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyQYYFSSXGCMAQDZ-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.87
Rot. Bonds3

About 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 113283047) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID113283047
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C14H21IN2/c1-14(16-2)7-9-17(10-8-14)11-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyQYYFSSXGCMAQDZ-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine (CID 113283047) is 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2ccc(I)cc2)CC1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is QYYFSSXGCMAQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-14(16-2)7-9-17(10-8-14)11-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 344.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 113283047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).