[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol

C13H23NO4 — CID 81218739

IUPAC[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol
SMILESOCC1CN(CC2COC3(CCCC3)O2)CCO1
InChIInChI=1S/C13H23NO4/c15-9-11-7-14(5-6-16-11)8-12-10-17-13(18-12)3-1-2-4-13/h11-12,15H,1-10H2
InChIKeyDBIHOKTYTXXDOQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.37
Rot. Bonds3

About [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol

[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol (PubChem CID 81218739) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol
PubChem CID81218739
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol
SMILESOCC1CN(CC2COC3(CCCC3)O2)CCO1
InChIInChI=1S/C13H23NO4/c15-9-11-7-14(5-6-16-11)8-12-10-17-13(18-12)3-1-2-4-13/h11-12,15H,1-10H2
InChIKeyDBIHOKTYTXXDOQ-UHFFFAOYSA-N
XLogP0.37
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]methanol
CID 62019901
1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine
CID 2832845
3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314326
1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine
CID 66195421
[4-[[1-(hydroxymethyl)cyclopentyl]methyl]morpholin-2-yl]methanol
CID 81212944
1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 113360750
[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961047
[(2S)-4-(oxolan-3-ylmethyl)morpholin-2-yl]methanol
CID 130137885
[4-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
CID 81213625
1-[[2-(hydroxymethyl)morpholin-4-yl]methyl]cyclohexane-1-carbaldehyde
CID 81212922
1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 55176251
8-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63768913

Frequently Asked Questions

What is the IUPAC name of [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol (CID 81218739) is [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol is OCC1CN(CC2COC3(CCCC3)O2)CCO1.
What is the InChIKey of [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol?
The InChIKey is DBIHOKTYTXXDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c15-9-11-7-14(5-6-16-11)8-12-10-17-13(18-12)3-1-2-4-13/h11-12,15H,1-10H2.
What are the key properties of [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol?
[4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol has a molecular weight of 257.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 81218739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).