2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol

C14H28N2O3 — CID 63312916

IUPAC2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CCOC2CCCCO2)CC1
InChIInChI=1S/C14H28N2O3/c17-11-9-15-5-3-6-16(8-7-15)10-13-19-14-4-1-2-12-18-14/h14,17H,1-13H2
InChIKeyHXSSQPUXIOGNAD-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.53
Rot. Bonds6

About 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol

2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 63312916) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
PubChem CID63312916
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CCOC2CCCCO2)CC1
InChIInChI=1S/C14H28N2O3/c17-11-9-15-5-3-6-16(8-7-15)10-13-19-14-4-1-2-12-18-14/h14,17H,1-13H2
InChIKeyHXSSQPUXIOGNAD-UHFFFAOYSA-N
XLogP0.53
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol
CID 114799729
[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
CID 124863525
2-[4-(oxan-2-yl)piperazin-1-yl]ethanol
CID 123539907
2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone
CID 164633078
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013774
3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol
CID 103358054
N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
CID 115300577
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone
CID 86789179
2-(2-nitroethoxy)oxane
CID 3748656

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol (CID 63312916) is 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(CCOC2CCCCO2)CC1.
What is the InChIKey of 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is HXSSQPUXIOGNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c17-11-9-15-5-3-6-16(8-7-15)10-13-19-14-4-1-2-12-18-14/h14,17H,1-13H2.
What are the key properties of 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 272.39 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 63312916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).