(2S)-2-(methoxymethyl)piperidine

C7H15NO — CID 7022856

IUPAC(2S)-2-(methoxymethyl)piperidine
SMILESCOC[C@@H]1CCCCN1
InChIInChI=1S/C7H15NO/c1-9-6-7-4-2-3-5-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKeyIBPHVNKZLOQXAX-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds2

About (2S)-2-(methoxymethyl)piperidine

(2S)-2-(methoxymethyl)piperidine (PubChem CID 7022856) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)piperidine
PubChem CID7022856
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2S)-2-(methoxymethyl)piperidine
SMILESCOC[C@@H]1CCCCN1
InChIInChI=1S/C7H15NO/c1-9-6-7-4-2-3-5-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKeyIBPHVNKZLOQXAX-ZETCQYMHSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)piperidine?
The IUPAC name of (2S)-2-(methoxymethyl)piperidine (CID 7022856) is (2S)-2-(methoxymethyl)piperidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)piperidine?
The canonical SMILES for (2S)-2-(methoxymethyl)piperidine is COC[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(methoxymethyl)piperidine?
The InChIKey is IBPHVNKZLOQXAX-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-9-6-7-4-2-3-5-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)piperidine?
(2S)-2-(methoxymethyl)piperidine has a molecular weight of 129.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)piperidine is sourced from PubChem (CID 7022856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).