2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol

C13H24N2O3 — CID 165488455

IUPAC2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCOC23CCOC3)CC1
InChIInChI=1S/C13H24N2O3/c16-8-7-14-3-5-15(6-4-14)12-1-9-18-13(12)2-10-17-11-13/h12,16H,1-11H2
InChIKeyYOUMLNLXGHIVNV-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.46
Rot. Bonds3

About 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol

2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol (PubChem CID 165488455) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol
PubChem CID165488455
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CCOC23CCOC3)CC1
InChIInChI=1S/C13H24N2O3/c16-8-7-14-3-5-15(6-4-14)12-1-9-18-13(12)2-10-17-11-13/h12,16H,1-11H2
InChIKeyYOUMLNLXGHIVNV-UHFFFAOYSA-N
XLogP-0.46
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
CID 165488460
[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
CID 165469741
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
CID 55051211
2-[4-(oxan-2-yl)piperazin-1-yl]ethanol
CID 123539907
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
CID 79894117
2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol
CID 62391797
2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol
CID 114235692
2-(2-hydroxyethyl)-6-oxa-2-azaspiro[4.5]decan-9-ol
CID 121203771
2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol
CID 103857800
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)-1,4-diazepan-1-yl]acetic acid
CID 79901138

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol (CID 165488455) is 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol is OCCN1CCN(C2CCOC23CCOC3)CC1.
What is the InChIKey of 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol?
The InChIKey is YOUMLNLXGHIVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-8-7-14-3-5-15(6-4-14)12-1-9-18-13(12)2-10-17-11-13/h12,16H,1-11H2.
What are the key properties of 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol?
2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol has a molecular weight of 256.35 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 165488455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).