1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine

C16H25IN2 — CID 70089051

IUPAC1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCC(c1ccccc1I)N(C)CCN1CCCCC1
InChIInChI=1S/C16H25IN2/c1-14(15-8-4-5-9-16(15)17)18(2)12-13-19-10-6-3-7-11-19/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyRMAUSZDCOVOLPH-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.77
Rot. Bonds5

About 1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine

1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine (PubChem CID 70089051) has the molecular formula C16H25IN2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine
PubChem CID70089051
Molecular FormulaC16H25IN2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC Name1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCC(c1ccccc1I)N(C)CCN1CCCCC1
InChIInChI=1S/C16H25IN2/c1-14(15-8-4-5-9-16(15)17)18(2)12-13-19-10-6-3-7-11-19/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyRMAUSZDCOVOLPH-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
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-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine?
The IUPAC name of 1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine (CID 70089051) is 1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine is CC(c1ccccc1I)N(C)CCN1CCCCC1.
What is the InChIKey of 1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine?
The InChIKey is RMAUSZDCOVOLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2/c1-14(15-8-4-5-9-16(15)17)18(2)12-13-19-10-6-3-7-11-19/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine?
1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine has a molecular weight of 372.29 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine is sourced from PubChem (CID 70089051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).