(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone

C15H20INO — CID 55137830

IUPAC(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone
SMILESCCC1(C)CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C15H20INO/c1-3-15(2)8-10-17(11-9-15)14(18)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyZRBVRORDIYODAQ-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.94
Rot. Bonds2

About (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone

(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone (PubChem CID 55137830) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone
PubChem CID55137830
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC Name(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone
SMILESCCC1(C)CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C15H20INO/c1-3-15(2)8-10-17(11-9-15)14(18)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyZRBVRORDIYODAQ-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone?
The IUPAC name of (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone (CID 55137830) is (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone is CCC1(C)CCN(C(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone?
The InChIKey is ZRBVRORDIYODAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-3-15(2)8-10-17(11-9-15)14(18)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone?
(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone has a molecular weight of 357.24 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 55137830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).