3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide

C14H18INO — CID 173415568

IUPAC3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide
SMILESCN1CCCC(c2cc3ccccc3o2)C1.I
InChIInChI=1S/C14H17NO.HI/c1-15-8-4-6-12(10-15)14-9-11-5-2-3-7-13(11)16-14;/h2-3,5,7,9,12H,4,6,8,10H2,1H3;1H
InChIKeyNUZZDWGDNVKEFB-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.86
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide

3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide (PubChem CID 173415568) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide
PubChem CID173415568
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide
SMILESCN1CCCC(c2cc3ccccc3o2)C1.I
InChIInChI=1S/C14H17NO.HI/c1-15-8-4-6-12(10-15)14-9-11-5-2-3-7-13(11)16-14;/h2-3,5,7,9,12H,4,6,8,10H2,1H3;1H
InChIKeyNUZZDWGDNVKEFB-UHFFFAOYSA-N
XLogP3.86
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12528043
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3-(1-benzofuran-2-yl)cyclopentan-1-amine
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1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
CID 114730606
(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
CID 70240753
1-benzhydryl-3-(1-benzofuran-2-yl)azetidine
CID 67154723
2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole
CID 166894897
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
CID 54950067
4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine
CID 13362265
3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one
CID 118036884
(3R)-1-(1-benzofuran-2-ylmethyl)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 126431888

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide?
The IUPAC name of 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide (CID 173415568) is 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide is CN1CCCC(c2cc3ccccc3o2)C1.I.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide?
The InChIKey is NUZZDWGDNVKEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.HI/c1-15-8-4-6-12(10-15)14-9-11-5-2-3-7-13(11)16-14;/h2-3,5,7,9,12H,4,6,8,10H2,1H3;1H.
What are the key properties of 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide?
3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide has a molecular weight of 343.21 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide is sourced from PubChem (CID 173415568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).