2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone

C13H26N2O3 — CID 78807738

IUPAC2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone
SMILESCOCCN(CCOC)CC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O3/c1-17-10-8-14(9-11-18-2)12-13(16)15-6-4-3-5-7-15/h3-12H2,1-2H3
InChIKeyGYKNRXUPGIEUJI-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.59
Rot. Bonds8

About 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone

2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone (PubChem CID 78807738) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone
PubChem CID78807738
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone
SMILESCOCCN(CCOC)CC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O3/c1-17-10-8-14(9-11-18-2)12-13(16)15-6-4-3-5-7-15/h3-12H2,1-2H3
InChIKeyGYKNRXUPGIEUJI-UHFFFAOYSA-N
XLogP0.59
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone (CID 78807738) is 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone is COCCN(CCOC)CC(=O)N1CCCCC1.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is GYKNRXUPGIEUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-17-10-8-14(9-11-18-2)12-13(16)15-6-4-3-5-7-15/h3-12H2,1-2H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone?
2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 258.36 g/mol, XLogP of 0.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 78807738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).