4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine

C14H28N2O — CID 117258457

IUPAC4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine
SMILESCCN1CCC(C2CCNC(C)(COC)C2)C1
InChIInChI=1S/C14H28N2O/c1-4-16-8-6-13(10-16)12-5-7-15-14(2,9-12)11-17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyYGTSTQCWHTWBFI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds4

About 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine

4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine (PubChem CID 117258457) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine.

Molecular Properties

Compound Name4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine
PubChem CID117258457
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine
SMILESCCN1CCC(C2CCNC(C)(COC)C2)C1
InChIInChI=1S/C14H28N2O/c1-4-16-8-6-13(10-16)12-5-7-15-14(2,9-12)11-17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyYGTSTQCWHTWBFI-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine?
The IUPAC name of 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine (CID 117258457) is 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine.
What is the SMILES notation for 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine?
The canonical SMILES for 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine is CCN1CCC(C2CCNC(C)(COC)C2)C1.
What is the InChIKey of 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine?
The InChIKey is YGTSTQCWHTWBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-16-8-6-13(10-16)12-5-7-15-14(2,9-12)11-17-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine?
4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine is sourced from PubChem (CID 117258457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).