1-benzyl-2-(3-iodopropyl)piperidine

C15H22IN — CID 71648959

IUPAC1-benzyl-2-(3-iodopropyl)piperidine
SMILESICCCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H22IN/c16-11-6-10-15-9-4-5-12-17(15)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2
InChIKeyFJAFDHKAIUTTBJ-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.26
Rot. Bonds5

About 1-benzyl-2-(3-iodopropyl)piperidine

1-benzyl-2-(3-iodopropyl)piperidine (PubChem CID 71648959) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-benzyl-2-(3-iodopropyl)piperidine.

Molecular Properties

Compound Name1-benzyl-2-(3-iodopropyl)piperidine
PubChem CID71648959
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC Name1-benzyl-2-(3-iodopropyl)piperidine
SMILESICCCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H22IN/c16-11-6-10-15-9-4-5-12-17(15)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2
InChIKeyFJAFDHKAIUTTBJ-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3-iodopropyl)piperidine?
The IUPAC name of 1-benzyl-2-(3-iodopropyl)piperidine (CID 71648959) is 1-benzyl-2-(3-iodopropyl)piperidine.
What is the SMILES notation for 1-benzyl-2-(3-iodopropyl)piperidine?
The canonical SMILES for 1-benzyl-2-(3-iodopropyl)piperidine is ICCCC1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(3-iodopropyl)piperidine?
The InChIKey is FJAFDHKAIUTTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c16-11-6-10-15-9-4-5-12-17(15)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2.
What are the key properties of 1-benzyl-2-(3-iodopropyl)piperidine?
1-benzyl-2-(3-iodopropyl)piperidine has a molecular weight of 343.25 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3-iodopropyl)piperidine is sourced from PubChem (CID 71648959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).