2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol

C12H24N2O2 — CID 103857800

IUPAC2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(C2CCCOC2)CC1
InChIInChI=1S/C12H24N2O2/c15-9-8-13-4-2-5-14(7-6-13)12-3-1-10-16-11-12/h12,15H,1-11H2
InChIKeyYQOSHOHMVQKFGU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.17
Rot. Bonds3

About 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 103857800) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID103857800
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(C2CCCOC2)CC1
InChIInChI=1S/C12H24N2O2/c15-9-8-13-4-2-5-14(7-6-13)12-3-1-10-16-11-12/h12,15H,1-11H2
InChIKeyYQOSHOHMVQKFGU-UHFFFAOYSA-N
XLogP0.17
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63312870
2-[4-(1,1-dioxothiolan-3-yl)-1,4-diazepan-1-yl]ethanol
CID 63312824
1-(oxolan-3-yl)-4-propylpiperazine
CID 178050247
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol
CID 165470380
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]cyclopentan-1-one
CID 107223629
[1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol
CID 112710381
1-methyl-4-(oxolan-3-yl)-1,4-diazepane
CID 143294368
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831
4-methyl-1-[(3R)-oxan-3-yl]piperidine
CID 126716470
2-[4-(oxan-2-yl)piperazin-1-yl]ethanol
CID 123539907

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol (CID 103857800) is 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(C2CCCOC2)CC1.
What is the InChIKey of 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is YQOSHOHMVQKFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-9-8-13-4-2-5-14(7-6-13)12-3-1-10-16-11-12/h12,15H,1-11H2.
What are the key properties of 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 228.34 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 103857800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).