2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol

C16H30N2O2 — CID 102848051

IUPAC2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H30N2O2/c19-13-12-17-8-10-18(11-9-17)14-15-4-7-16(20-15)5-2-1-3-6-16/h15,19H,1-14H2
InChIKeyZXBOSLRSQMOPST-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.48
Rot. Bonds4

About 2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol

2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 102848051) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol
PubChem CID102848051
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H30N2O2/c19-13-12-17-8-10-18(11-9-17)14-15-4-7-16(20-15)5-2-1-3-6-16/h15,19H,1-14H2
InChIKeyZXBOSLRSQMOPST-UHFFFAOYSA-N
XLogP1.48
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol (CID 102848051) is 2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol is OCCN1CCN(CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of 2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is ZXBOSLRSQMOPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c19-13-12-17-8-10-18(11-9-17)14-15-4-7-16(20-15)5-2-1-3-6-16/h15,19H,1-14H2.
What are the key properties of 2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol?
2-[4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 282.43 g/mol, XLogP of 1.48, 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[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 102848051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).