N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine

C15H23IN2 — CID 146412518

IUPACN-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine
SMILESCCN(C)C1CCN(c2ccc(C)c(I)c2)CC1
InChIInChI=1S/C15H23IN2/c1-4-17(3)13-7-9-18(10-8-13)14-6-5-12(2)15(16)11-14/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyWZQMHLCXFPTFDX-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.52
Rot. Bonds3

About N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine

N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine (PubChem CID 146412518) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine
PubChem CID146412518
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC NameN-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine
SMILESCCN(C)C1CCN(c2ccc(C)c(I)c2)CC1
InChIInChI=1S/C15H23IN2/c1-4-17(3)13-7-9-18(10-8-13)14-6-5-12(2)15(16)11-14/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyWZQMHLCXFPTFDX-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.52
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 N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine (CID 146412518) is N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine is CCN(C)C1CCN(c2ccc(C)c(I)c2)CC1.
What is the InChIKey of N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine?
The InChIKey is WZQMHLCXFPTFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2/c1-4-17(3)13-7-9-18(10-8-13)14-6-5-12(2)15(16)11-14/h5-6,11,13H,4,7-10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine?
N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine has a molecular weight of 358.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 146412518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).