(2S)-2-(methoxymethyl)piperidin-1-ium

C7H16NO+ — CID 7022855

IUPAC(2S)-2-(methoxymethyl)piperidin-1-ium
SMILESCOC[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C7H15NO/c1-9-6-7-4-2-3-5-8-7/h7-8H,2-6H2,1H3/p+1/t7-/m0/s1
InChIKeyIBPHVNKZLOQXAX-ZETCQYMHSA-O
MW130.21 g/mol
LogP-0.25
Rot. Bonds2

About (2S)-2-(methoxymethyl)piperidin-1-ium

(2S)-2-(methoxymethyl)piperidin-1-ium (PubChem CID 7022855) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)piperidin-1-ium.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)piperidin-1-ium
PubChem CID7022855
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name(2S)-2-(methoxymethyl)piperidin-1-ium
SMILESCOC[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C7H15NO/c1-9-6-7-4-2-3-5-8-7/h7-8H,2-6H2,1H3/p+1/t7-/m0/s1
InChIKeyIBPHVNKZLOQXAX-ZETCQYMHSA-O
XLogP-0.25
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)piperidin-1-ium?
The IUPAC name of (2S)-2-(methoxymethyl)piperidin-1-ium (CID 7022855) is (2S)-2-(methoxymethyl)piperidin-1-ium.
What is the SMILES notation for (2S)-2-(methoxymethyl)piperidin-1-ium?
The canonical SMILES for (2S)-2-(methoxymethyl)piperidin-1-ium is COC[C@@H]1CCCC[NH2+]1.
What is the InChIKey of (2S)-2-(methoxymethyl)piperidin-1-ium?
The InChIKey is IBPHVNKZLOQXAX-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H15NO/c1-9-6-7-4-2-3-5-8-7/h7-8H,2-6H2,1H3/p+1/t7-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)piperidin-1-ium?
(2S)-2-(methoxymethyl)piperidin-1-ium has a molecular weight of 130.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)piperidin-1-ium is sourced from PubChem (CID 7022855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).