4-methoxypiperidin-1-ium chloride

C6H14ClNO — CID 139071421

IUPAC4-methoxypiperidin-1-ium chloride
SMILESCOC1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C6H13NO.ClH/c1-8-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyDMFJRRMECZFOKR-UHFFFAOYSA-N
MW151.64 g/mol
LogP-3.64
Rot. Bonds1

About 4-methoxypiperidin-1-ium chloride

4-methoxypiperidin-1-ium chloride (PubChem CID 139071421) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 4-methoxypiperidin-1-ium chloride.

Molecular Properties

Compound Name4-methoxypiperidin-1-ium chloride
PubChem CID139071421
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name4-methoxypiperidin-1-ium chloride
SMILESCOC1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C6H13NO.ClH/c1-8-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyDMFJRRMECZFOKR-UHFFFAOYSA-N
XLogP-3.64
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 5-3.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypiperidin-1-ium chloride?
The IUPAC name of 4-methoxypiperidin-1-ium chloride (CID 139071421) is 4-methoxypiperidin-1-ium chloride.
What is the SMILES notation for 4-methoxypiperidin-1-ium chloride?
The canonical SMILES for 4-methoxypiperidin-1-ium chloride is COC1CC[NH2+]CC1.[Cl-].
What is the InChIKey of 4-methoxypiperidin-1-ium chloride?
The InChIKey is DMFJRRMECZFOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-8-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 4-methoxypiperidin-1-ium chloride?
4-methoxypiperidin-1-ium chloride has a molecular weight of 151.64 g/mol, XLogP of -3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypiperidin-1-ium chloride is sourced from PubChem (CID 139071421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).