1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine

C9H18INO2 — CID 148911348

IUPAC1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine
SMILESCI1OCC(CN2CCCCC2)O1
InChIInChI=1S/C9H18INO2/c1-10-12-8-9(13-10)7-11-5-3-2-4-6-11/h9H,2-8H2,1H3
InChIKeyPIRRNTPUNPPWRF-UHFFFAOYSA-N
MW299.15 g/mol
LogP1.85
Rot. Bonds2

About 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine

1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine (PubChem CID 148911348) has the molecular formula C9H18INO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine
PubChem CID148911348
Molecular FormulaC9H18INO2
Molecular Weight299.15 g/mol
Exact Mass299.04
IUPAC Name1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine
SMILESCI1OCC(CN2CCCCC2)O1
InChIInChI=1S/C9H18INO2/c1-10-12-8-9(13-10)7-11-5-3-2-4-6-11/h9H,2-8H2,1H3
InChIKeyPIRRNTPUNPPWRF-UHFFFAOYSA-N
XLogP1.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxiran-2-ylmethyl)pyrrolidine
CID 13313617
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
1-(oxetan-3-ylmethyl)piperidine
CID 57169736
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane
CID 146534303
1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine
CID 2832845
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
4-tert-butyl-2-(piperidin-1-ylmethyl)morpholine
CID 146520255
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine
CID 67462069
N-methyl-1-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methanamine
CID 62437708

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine?
The IUPAC name of 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine (CID 148911348) is 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine is CI1OCC(CN2CCCCC2)O1.
What is the InChIKey of 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine?
The InChIKey is PIRRNTPUNPPWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO2/c1-10-12-8-9(13-10)7-11-5-3-2-4-6-11/h9H,2-8H2,1H3.
What are the key properties of 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine?
1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine has a molecular weight of 299.15 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-1λ3,2,5-iodadioxolan-3-yl)methyl]piperidine is sourced from PubChem (CID 148911348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).