1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine

C14H28N2O — CID 117271883

IUPAC1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine
SMILESCCN1CCCC(CC2(COC)CCCN2)C1
InChIInChI=1S/C14H28N2O/c1-3-16-9-4-6-13(11-16)10-14(12-17-2)7-5-8-15-14/h13,15H,3-12H2,1-2H3
InChIKeyDEGOLMILAGUUPD-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine

1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine (PubChem CID 117271883) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine
PubChem CID117271883
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine
SMILESCCN1CCCC(CC2(COC)CCCN2)C1
InChIInChI=1S/C14H28N2O/c1-3-16-9-4-6-13(11-16)10-14(12-17-2)7-5-8-15-14/h13,15H,3-12H2,1-2H3
InChIKeyDEGOLMILAGUUPD-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(2-methylpyrrolidin-2-yl)methyl]pyrrolidine
CID 117270951
1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine
CID 117271318
(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182
[2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103176
2-(methoxymethyl)-2-(thian-2-ylmethyl)pyrrolidine
CID 117271873
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
2-(methoxymethyl)-2-(piperidin-2-ylmethyl)piperidine
CID 117272019
2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide
CID 117272010
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592
methyl 2-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103541
2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 115103189
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine?
The IUPAC name of 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine (CID 117271883) is 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine.
What is the SMILES notation for 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine?
The canonical SMILES for 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine is CCN1CCCC(CC2(COC)CCCN2)C1.
What is the InChIKey of 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine?
The InChIKey is DEGOLMILAGUUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-16-9-4-6-13(11-16)10-14(12-17-2)7-5-8-15-14/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine?
1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine is sourced from PubChem (CID 117271883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).