1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium

C11H18NS+ — CID 155612775

IUPAC1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium
SMILESC[N+]1(Cc2cccs2)CCCCC1
InChIInChI=1S/C11H18NS/c1-12(7-3-2-4-8-12)10-11-6-5-9-13-11/h5-6,9H,2-4,7-8,10H2,1H3/q+1
InChIKeyBZOJEUVRECLCAO-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.88
Rot. Bonds2

About 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium

1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium (PubChem CID 155612775) has the molecular formula C11H18NS+ and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium
PubChem CID155612775
Molecular FormulaC11H18NS+
Molecular Weight196.34 g/mol
Exact Mass196.12
IUPAC Name1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium
SMILESC[N+]1(Cc2cccs2)CCCCC1
InChIInChI=1S/C11H18NS/c1-12(7-3-2-4-8-12)10-11-6-5-9-13-11/h5-6,9H,2-4,7-8,10H2,1H3/q+1
InChIKeyBZOJEUVRECLCAO-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-(1-benzothiophen-3-ylmethyl)-1-methylpiperidin-1-ium iodide
CID 24842800
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
2,2-bis(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-ium
CID 156672478
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-(bromomethyl)thiophene
CID 11829978
1,1-dimethyl-2-(thiophen-2-ylmethyl)hydrazine
CID 83007030
2-(methylsulfanylmethyl)thiophene
CID 12872111
2-(methoxymethyl)thiophene
CID 10240820
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium?
The IUPAC name of 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium (CID 155612775) is 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium?
The canonical SMILES for 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium is C[N+]1(Cc2cccs2)CCCCC1.
What is the InChIKey of 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium?
The InChIKey is BZOJEUVRECLCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NS/c1-12(7-3-2-4-8-12)10-11-6-5-9-13-11/h5-6,9H,2-4,7-8,10H2,1H3/q+1.
What are the key properties of 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium?
1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium has a molecular weight of 196.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(thiophen-2-ylmethyl)piperidin-1-ium is sourced from PubChem (CID 155612775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).