[3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol

C15H27NO2 — CID 114279551

IUPAC[3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol
SMILESOCC1(CN2CCC3(CCCC3)C2)CCCOC1
InChIInChI=1S/C15H27NO2/c17-12-15(6-3-9-18-13-15)11-16-8-7-14(10-16)4-1-2-5-14/h17H,1-13H2
InChIKeyHJVFYYJUTOWZNZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.04
Rot. Bonds3

About [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol

[3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol (PubChem CID 114279551) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol
PubChem CID114279551
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol
SMILESOCC1(CN2CCC3(CCCC3)C2)CCCOC1
InChIInChI=1S/C15H27NO2/c17-12-15(6-3-9-18-13-15)11-16-8-7-14(10-16)4-1-2-5-14/h17H,1-13H2
InChIKeyHJVFYYJUTOWZNZ-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol
CID 63746761
[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
CID 104550634
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
CID 103539291
[1-(2-azaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]methanamine
CID 166178279
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol
CID 102967531
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 63159734
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 63159777
2-[4-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226535
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol
CID 103358661
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanol
CID 55241861
[3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol
CID 131057764

Frequently Asked Questions

What is the IUPAC name of [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol?
The IUPAC name of [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol (CID 114279551) is [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol.
What is the SMILES notation for [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol?
The canonical SMILES for [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol is OCC1(CN2CCC3(CCCC3)C2)CCCOC1.
What is the InChIKey of [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol?
The InChIKey is HJVFYYJUTOWZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-12-15(6-3-9-18-13-15)11-16-8-7-14(10-16)4-1-2-5-14/h17H,1-13H2.
What are the key properties of [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol?
[3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol has a molecular weight of 253.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-azaspiro[4.4]nonan-2-ylmethyl)oxan-3-yl]methanol is sourced from PubChem (CID 114279551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).