1-ethyl-4-(3-iodo-4-methylphenyl)piperidine

C14H20IN — CID 146412491

IUPAC1-ethyl-4-(3-iodo-4-methylphenyl)piperidine
SMILESCCN1CCC(c2ccc(C)c(I)c2)CC1
InChIInChI=1S/C14H20IN/c1-3-16-8-6-12(7-9-16)13-5-4-11(2)14(15)10-13/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyJPHBWTZYCAUDRO-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.80
Rot. Bonds2

About 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine

1-ethyl-4-(3-iodo-4-methylphenyl)piperidine (PubChem CID 146412491) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(3-iodo-4-methylphenyl)piperidine
PubChem CID146412491
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name1-ethyl-4-(3-iodo-4-methylphenyl)piperidine
SMILESCCN1CCC(c2ccc(C)c(I)c2)CC1
InChIInChI=1S/C14H20IN/c1-3-16-8-6-12(7-9-16)13-5-4-11(2)14(15)10-13/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyJPHBWTZYCAUDRO-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.80
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 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine?
The IUPAC name of 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine (CID 146412491) is 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine.
What is the SMILES notation for 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine?
The canonical SMILES for 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine is CCN1CCC(c2ccc(C)c(I)c2)CC1.
What is the InChIKey of 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine?
The InChIKey is JPHBWTZYCAUDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-3-16-8-6-12(7-9-16)13-5-4-11(2)14(15)10-13/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine?
1-ethyl-4-(3-iodo-4-methylphenyl)piperidine has a molecular weight of 329.23 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-iodo-4-methylphenyl)piperidine is sourced from PubChem (CID 146412491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).