3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

C14H28N2O — CID 120900572

IUPAC3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCCOCC1CCCN(CC2(C)CCNC2)C1
InChIInChI=1S/C14H28N2O/c1-3-17-10-13-5-4-8-16(9-13)12-14(2)6-7-15-11-14/h13,15H,3-12H2,1-2H3
InChIKeyZKTXBLNUGNXVJE-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds5

About 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 120900572) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
PubChem CID120900572
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCCOCC1CCCN(CC2(C)CCNC2)C1
InChIInChI=1S/C14H28N2O/c1-3-17-10-13-5-4-8-16(9-13)12-14(2)6-7-15-11-14/h13,15H,3-12H2,1-2H3
InChIKeyZKTXBLNUGNXVJE-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120901494
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899331
3-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122767
4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
CID 120905741
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 120897218
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 120901182
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (CID 120900572) is 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is CCOCC1CCCN(CC2(C)CCNC2)C1.
What is the InChIKey of 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is ZKTXBLNUGNXVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-17-10-13-5-4-8-16(9-13)12-14(2)6-7-15-11-14/h13,15H,3-12H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 120900572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).