2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol

C16H29NO2 — CID 102900024

IUPAC2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H29NO2/c18-12-7-14-5-1-4-11-17(14)13-15-6-10-16(19-15)8-2-3-9-16/h14-15,18H,1-13H2
InChIKeyJECJYUPADLDPDK-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.72
Rot. Bonds4

About 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol

2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol (PubChem CID 102900024) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol
PubChem CID102900024
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H29NO2/c18-12-7-14-5-1-4-11-17(14)13-15-6-10-16(19-15)8-2-3-9-16/h14-15,18H,1-13H2
InChIKeyJECJYUPADLDPDK-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid
CID 102899176
2-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-2-yl]ethanol
CID 62021772
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
CID 102900010
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899249
[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898456
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898455
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
CID 65009301

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol (CID 102900024) is 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol is OCCC1CCCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol?
The InChIKey is JECJYUPADLDPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-12-7-14-5-1-4-11-17(14)13-15-6-10-16(19-15)8-2-3-9-16/h14-15,18H,1-13H2.
What are the key properties of 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol?
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol has a molecular weight of 267.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 102900024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).