2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol

C12H24N2O2 — CID 60645192

IUPAC2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C12H24N2O2/c15-9-8-13-4-6-14(7-5-13)11-12-3-1-2-10-16-12/h12,15H,1-11H2
InChIKeyHIKXLQWRWLYUDC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.17
Rot. Bonds4

About 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol

2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 60645192) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol
PubChem CID60645192
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C12H24N2O2/c15-9-8-13-4-6-14(7-5-13)11-12-3-1-2-10-16-12/h12,15H,1-11H2
InChIKeyHIKXLQWRWLYUDC-UHFFFAOYSA-N
XLogP0.17
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol (CID 60645192) is 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol is OCCN1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is HIKXLQWRWLYUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-9-8-13-4-6-14(7-5-13)11-12-3-1-2-10-16-12/h12,15H,1-11H2.
What are the key properties of 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol?
2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 228.34 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-2-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 60645192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).