1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine

C14H28N2O2 — CID 53591854

IUPAC1-(2-ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine
SMILESCCOCCN1CCN(CC1)CC2CCCCO2
InChIInChI=1S/C14H28N2O2/c1-2-17-12-10-15-6-8-16(9-7-15)13-14-5-3-4-11-18-14/h14H,2-13H2,1H3
InChIKeyMRNPACQJIGQXKA-UHFFFAOYSA-N
MW256.38 g/mol
LogP1.10
Rot. Bonds6

About 1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine

1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine (PubChem CID 53591854) has the molecular formula C14H28N2O2 and a molecular weight of 256.38 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine
PubChem CID53591854
Molecular FormulaC14H28N2O2
Molecular Weight256.38 g/mol
Exact Mass256.22
IUPAC Name1-(2-ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine
SMILESCCOCCN1CCN(CC1)CC2CCCCO2
InChIInChI=1S/C14H28N2O2/c1-2-17-12-10-15-6-8-16(9-7-15)13-14-5-3-4-11-18-14/h14H,2-13H2,1H3
InChIKeyMRNPACQJIGQXKA-UHFFFAOYSA-N
XLogP1.10
TPSA24.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity218

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 53530223
CID 53530223
CID 91362714
CID 91362714
CID 45794513
CID 45794513
CID 51077626
CID 51077626
CID 53514669
CID 53514669
CID 53514713
CID 53514713
CID 86768181
CID 86768181
CID 97124285
CID 97124285
CID 16206893
CID 16206893
CID 75443701
CID 75443701
CID 54599864
CID 54599864
CID 14981447
CID 14981447

Frequently Asked Questions

What is the IUPAC name of 1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine (CID 53591854) is 1-(2-ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine is CCOCCN1CCN(CC1)CC2CCCCO2.
What is the InChIKey of 1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine?
The InChIKey is MRNPACQJIGQXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-17-12-10-15-6-8-16(9-7-15)13-14-5-3-4-11-18-14/h14H,2-13H2,1H3.
What are the key properties of 1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine?
1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine has a molecular weight of 256.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Ethoxyethyl)-4-(oxan-2-ylmethyl)piperazine is sourced from PubChem (CID 53591854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).