4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine

C12H24N2O — CID 63971924

IUPAC4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine
SMILESCOCC1CCN(CC2CCCN2)CC1
InChIInChI=1S/C12H24N2O/c1-15-10-11-4-7-14(8-5-11)9-12-3-2-6-13-12/h11-13H,2-10H2,1H3
InChIKeyXSAUAVUCOLRMTN-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds4

About 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine

4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine (PubChem CID 63971924) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine
PubChem CID63971924
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine
SMILESCOCC1CCN(CC2CCCN2)CC1
InChIInChI=1S/C12H24N2O/c1-15-10-11-4-7-14(8-5-11)9-12-3-2-6-13-12/h11-13H,2-10H2,1H3
InChIKeyXSAUAVUCOLRMTN-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine?
The IUPAC name of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine (CID 63971924) is 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine?
The canonical SMILES for 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine is COCC1CCN(CC2CCCN2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine?
The InChIKey is XSAUAVUCOLRMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-15-10-11-4-7-14(8-5-11)9-12-3-2-6-13-12/h11-13H,2-10H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine?
4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine is sourced from PubChem (CID 63971924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).