1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine

C14H26N2O2 — CID 116873116

IUPAC1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine
SMILESC1CN(CCC2(C3CCOCC3)COC2)CCN1
InChIInChI=1S/C14H26N2O2/c1-9-17-10-2-13(1)14(11-18-12-14)3-6-16-7-4-15-5-8-16/h13,15H,1-12H2
InChIKeyNFKBUKINTVVPLT-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.72
Rot. Bonds4

About 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine

1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine (PubChem CID 116873116) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine
PubChem CID116873116
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine
SMILESC1CN(CCC2(C3CCOCC3)COC2)CCN1
InChIInChI=1S/C14H26N2O2/c1-9-17-10-2-13(1)14(11-18-12-14)3-6-16-7-4-15-5-8-16/h13,15H,1-12H2
InChIKeyNFKBUKINTVVPLT-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-cyclobutyloxetan-3-yl)ethyl]piperazine
CID 116873120
1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine
CID 116873103
1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine
CID 62990691
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine
CID 116874182
1-[1-(3-cyclobutyloxetan-3-yl)propan-2-yl]piperazine
CID 116875640
1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine
CID 116840550
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
N-methyl-1-(oxolan-3-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 113483589
3a-(morpholin-4-ylmethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 172642973
2-morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine?
The IUPAC name of 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine (CID 116873116) is 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine?
The canonical SMILES for 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine is C1CN(CCC2(C3CCOCC3)COC2)CCN1.
What is the InChIKey of 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine?
The InChIKey is NFKBUKINTVVPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9-17-10-2-13(1)14(11-18-12-14)3-6-16-7-4-15-5-8-16/h13,15H,1-12H2.
What are the key properties of 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine?
1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine has a molecular weight of 254.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine is sourced from PubChem (CID 116873116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).