1-methylpiperidin-1-ium formate

C7H15NO2 — CID 68634417

IUPAC1-methylpiperidin-1-ium formate
SMILESC[NH+]1CCCCC1.O=C[O-]
InChIInChI=1S/C6H13N.CH2O2/c1-7-5-3-2-4-6-7;2-1-3/h2-6H2,1H3;1H,(H,2,3)
InChIKeySVQWGVPUKRIGDS-UHFFFAOYSA-N
MW145.20 g/mol
LogP-1.95
Rot. Bonds

About 1-methylpiperidin-1-ium formate

1-methylpiperidin-1-ium formate (PubChem CID 68634417) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-methylpiperidin-1-ium formate.

Molecular Properties

Compound Name1-methylpiperidin-1-ium formate
PubChem CID68634417
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-methylpiperidin-1-ium formate
SMILESC[NH+]1CCCCC1.O=C[O-]
InChIInChI=1S/C6H13N.CH2O2/c1-7-5-3-2-4-6-7;2-1-3/h2-6H2,1H3;1H,(H,2,3)
InChIKeySVQWGVPUKRIGDS-UHFFFAOYSA-N
XLogP-1.95
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperidinium formate
CID 11170990
Piperidine formate
CID 53420080
4,4-Difluoro-1-methylpiperidin-1-ium formate
CID 140644970
Dimethyl(pentyl)azanium formate
CID 89766437
Methyl carbonate;1-methylpiperidin-1-ium
CID 118112265
Piperidin-4-ylazanium formate
CID 140644965
Piperidin-1-ium-1-ylmethyl formate
CID 140763665
Dipentylazanium formate
CID 141173545
1-Fluoropiperidin-1-ium formate
CID 141667789
Ethyl formate;piperidine
CID 141867982
Methyl formate;piperidine
CID 141953513
CID 157263720
CID 157263720

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-1-ium formate?
The IUPAC name of 1-methylpiperidin-1-ium formate (CID 68634417) is 1-methylpiperidin-1-ium formate.
What is the SMILES notation for 1-methylpiperidin-1-ium formate?
The canonical SMILES for 1-methylpiperidin-1-ium formate is C[NH+]1CCCCC1.O=C[O-].
What is the InChIKey of 1-methylpiperidin-1-ium formate?
The InChIKey is SVQWGVPUKRIGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.CH2O2/c1-7-5-3-2-4-6-7;2-1-3/h2-6H2,1H3;1H,(H,2,3).
What are the key properties of 1-methylpiperidin-1-ium formate?
1-methylpiperidin-1-ium formate has a molecular weight of 145.20 g/mol, XLogP of -1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-1-ium formate is sourced from PubChem (CID 68634417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).