trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol

C13H23NO3 — CID 86594080

IUPACtrans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO3/c15-12-4-2-1-3-11(12)14-7-5-13(6-8-14)16-9-10-17-13/h11-12,15H,1-10H2/t11-,12-/m1/s1
InChIKeyIWLMQUZBTRWHER-VXGBXAGGSA-N
MW241.33 g/mol
LogP1.13
Rot. Bonds1

About trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol (PubChem CID 86594080) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
PubChem CID86594080
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametrans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO3/c15-12-4-2-1-3-11(12)14-7-5-13(6-8-14)16-9-10-17-13/h11-12,15H,1-10H2/t11-,12-/m1/s1
InChIKeyIWLMQUZBTRWHER-VXGBXAGGSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 126846526
(1S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol
CID 45358553
2-(4,4-dimethylpiperidin-1-yl)cyclooctan-1-ol
CID 62930764
(7S,8S)-7-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decan-8-ol
CID 15177770
trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol
CID 97091562
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
cis-(1R,2S)-2-(4-aminopiperidin-1-yl)cyclohexan-1-ol
CID 93346127
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583
8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 114227945

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol (CID 86594080) is trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1N1CCC2(CC1)OCCO2.
What is the InChIKey of trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol?
The InChIKey is IWLMQUZBTRWHER-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12-4-2-1-3-11(12)14-7-5-13(6-8-14)16-9-10-17-13/h11-12,15H,1-10H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol is sourced from PubChem (CID 86594080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).