1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine

C22H34IN — CID 174246867

IUPAC1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine
SMILESC=C(C)c1ccc(N2CCC(CC(CCC)CCC)CC2)cc1I
InChIInChI=1S/C22H34IN/c1-5-7-18(8-6-2)15-19-11-13-24(14-12-19)20-9-10-21(17(3)4)22(23)16-20/h9-10,16,18-19H,3,5-8,11-15H2,1-2,4H3
InChIKeyJUZGQHQIGWBGML-UHFFFAOYSA-N
MW439.43 g/mol
LogP7.15
Rot. Bonds8

About 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine

1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine (PubChem CID 174246867) has the molecular formula C22H34IN and a molecular weight of 439.43 g/mol. Its IUPAC name is 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine.

Molecular Properties

Compound Name1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine
PubChem CID174246867
Molecular FormulaC22H34IN
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC Name1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine
SMILESC=C(C)c1ccc(N2CCC(CC(CCC)CCC)CC2)cc1I
InChIInChI=1S/C22H34IN/c1-5-7-18(8-6-2)15-19-11-13-24(14-12-19)20-9-10-21(17(3)4)22(23)16-20/h9-10,16,18-19H,3,5-8,11-15H2,1-2,4H3
InChIKeyJUZGQHQIGWBGML-UHFFFAOYSA-N
XLogP7.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.43
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine?
The IUPAC name of 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine (CID 174246867) is 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine.
What is the SMILES notation for 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine?
The canonical SMILES for 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine is C=C(C)c1ccc(N2CCC(CC(CCC)CCC)CC2)cc1I.
What is the InChIKey of 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine?
The InChIKey is JUZGQHQIGWBGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34IN/c1-5-7-18(8-6-2)15-19-11-13-24(14-12-19)20-9-10-21(17(3)4)22(23)16-20/h9-10,16,18-19H,3,5-8,11-15H2,1-2,4H3.
What are the key properties of 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine?
1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine has a molecular weight of 439.43 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-4-prop-1-en-2-ylphenyl)-4-(2-propylpentyl)piperidine is sourced from PubChem (CID 174246867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).