1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine

C13H26N2O2 — CID 94532597

IUPAC1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
SMILESCOCCN1CCN(C[C@H]2CCCCO2)CC1
InChIInChI=1S/C13H26N2O2/c1-16-11-9-14-5-7-15(8-6-14)12-13-4-2-3-10-17-13/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyNXUQHWAMZMGCBN-CYBMUJFWSA-N
MW242.36 g/mol
LogP0.82
Rot. Bonds5

About 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine

1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine (PubChem CID 94532597) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
PubChem CID94532597
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
SMILESCOCCN1CCN(C[C@H]2CCCCO2)CC1
InChIInChI=1S/C13H26N2O2/c1-16-11-9-14-5-7-15(8-6-14)12-13-4-2-3-10-17-13/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyNXUQHWAMZMGCBN-CYBMUJFWSA-N
XLogP0.82
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 94532596
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807
4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
CID 43591824
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
1-(oxan-2-ylmethyl)piperazine
CID 14981447
3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 16768404
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine
CID 50956772
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
CID 43253069

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine (CID 94532597) is 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine is COCCN1CCN(C[C@H]2CCCCO2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine?
The InChIKey is NXUQHWAMZMGCBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-16-11-9-14-5-7-15(8-6-14)12-13-4-2-3-10-17-13/h13H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine?
1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine has a molecular weight of 242.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine is sourced from PubChem (CID 94532597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).