4-(piperazin-1-ylmethyl)oxan-4-ol

C10H20N2O2 — CID 15567031

IUPAC4-(piperazin-1-ylmethyl)oxan-4-ol
SMILESOC1(CN2CCNCC2)CCOCC1
InChIInChI=1S/C10H20N2O2/c13-10(1-7-14-8-2-10)9-12-5-3-11-4-6-12/h11,13H,1-9H2
InChIKeyVFFWCJUMODFFIZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.57
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)oxan-4-ol

4-(piperazin-1-ylmethyl)oxan-4-ol (PubChem CID 15567031) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)oxan-4-ol
PubChem CID15567031
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(piperazin-1-ylmethyl)oxan-4-ol
SMILESOC1(CN2CCNCC2)CCOCC1
InChIInChI=1S/C10H20N2O2/c13-10(1-7-14-8-2-10)9-12-5-3-11-4-6-12/h11,13H,1-9H2
InChIKeyVFFWCJUMODFFIZ-UHFFFAOYSA-N
XLogP-0.57
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)oxan-4-ol?
The IUPAC name of 4-(piperazin-1-ylmethyl)oxan-4-ol (CID 15567031) is 4-(piperazin-1-ylmethyl)oxan-4-ol.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)oxan-4-ol?
The canonical SMILES for 4-(piperazin-1-ylmethyl)oxan-4-ol is OC1(CN2CCNCC2)CCOCC1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)oxan-4-ol?
The InChIKey is VFFWCJUMODFFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-10(1-7-14-8-2-10)9-12-5-3-11-4-6-12/h11,13H,1-9H2.
What are the key properties of 4-(piperazin-1-ylmethyl)oxan-4-ol?
4-(piperazin-1-ylmethyl)oxan-4-ol has a molecular weight of 200.28 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)oxan-4-ol is sourced from PubChem (CID 15567031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).