2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol

C15H28N2O2 — CID 102900016

IUPAC2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H28N2O2/c18-12-11-16-7-9-17(10-8-16)13-14-3-6-15(19-14)4-1-2-5-15/h14,18H,1-13H2
InChIKeyRYMTUVRXPNGLLG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.09
Rot. Bonds4

About 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol

2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 102900016) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol
PubChem CID102900016
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H28N2O2/c18-12-11-16-7-9-17(10-8-16)13-14-3-6-15(19-14)4-1-2-5-15/h14,18H,1-13H2
InChIKeyRYMTUVRXPNGLLG-UHFFFAOYSA-N
XLogP1.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102903058
2-[2,2-Difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 107485535
(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[[(2S)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperazine
CID 100683398
1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-ol
CID 102848050
2-[4-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol
CID 102848051
1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-ol
CID 102848054
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848055
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol
CID 102848059
2-[2-Methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848082
2-[2-Hydroxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848090
2-[Cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848122
1-[[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 102848135

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol (CID 102900016) is 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol is OCCN1CCN(CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is RYMTUVRXPNGLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-12-11-16-7-9-17(10-8-16)13-14-3-6-15(19-14)4-1-2-5-15/h14,18H,1-13H2.
What are the key properties of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol?
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 268.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 102900016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).