4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol

C16H29NO3 — CID 79900930

IUPAC4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H29NO3/c1-2-17-8-4-16(18,5-9-17)14-3-10-20-15(13-14)6-11-19-12-7-15/h14,18H,2-13H2,1H3
InChIKeyFWWWLRSXXKKFFN-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.81
Rot. Bonds2

About 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol

4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol (PubChem CID 79900930) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol
PubChem CID79900930
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H29NO3/c1-2-17-8-4-16(18,5-9-17)14-3-10-20-15(13-14)6-11-19-12-7-15/h14,18H,2-13H2,1H3
InChIKeyFWWWLRSXXKKFFN-UHFFFAOYSA-N
XLogP1.81
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
1-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-ol
CID 79899741
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol
CID 79907158
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol
CID 79907952
4-(ethylamino)-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79922553
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
1-ethyl-4-(4-ethylcyclohexyl)piperidin-4-ol
CID 64749154

Frequently Asked Questions

What is the IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol?
The IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol (CID 79900930) is 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol is CCN1CCC(O)(C2CCOC3(CCOCC3)C2)CC1.
What is the InChIKey of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol?
The InChIKey is FWWWLRSXXKKFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-17-8-4-16(18,5-9-17)14-3-10-20-15(13-14)6-11-19-12-7-15/h14,18H,2-13H2,1H3.
What are the key properties of 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol?
4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol has a molecular weight of 283.41 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol is sourced from PubChem (CID 79900930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).