4-(2-methylpiperazin-1-yl)oxan-3-ol

C10H20N2O2 — CID 165476258

IUPAC4-(2-methylpiperazin-1-yl)oxan-3-ol
SMILESCC1CNCCN1C1CCOCC1O
InChIInChI=1S/C10H20N2O2/c1-8-6-11-3-4-12(8)9-2-5-14-7-10(9)13/h8-11,13H,2-7H2,1H3
InChIKeyMFFPSIFIOXOVHK-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.57
Rot. Bonds1

About 4-(2-methylpiperazin-1-yl)oxan-3-ol

4-(2-methylpiperazin-1-yl)oxan-3-ol (PubChem CID 165476258) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(2-methylpiperazin-1-yl)oxan-3-ol.

Molecular Properties

Compound Name4-(2-methylpiperazin-1-yl)oxan-3-ol
PubChem CID165476258
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(2-methylpiperazin-1-yl)oxan-3-ol
SMILESCC1CNCCN1C1CCOCC1O
InChIInChI=1S/C10H20N2O2/c1-8-6-11-3-4-12(8)9-2-5-14-7-10(9)13/h8-11,13H,2-7H2,1H3
InChIKeyMFFPSIFIOXOVHK-UHFFFAOYSA-N
XLogP-0.57
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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

Analyze 4-(2-methylpiperazin-1-yl)oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperazin-1-yl)oxan-3-ol?
The IUPAC name of 4-(2-methylpiperazin-1-yl)oxan-3-ol (CID 165476258) is 4-(2-methylpiperazin-1-yl)oxan-3-ol.
What is the SMILES notation for 4-(2-methylpiperazin-1-yl)oxan-3-ol?
The canonical SMILES for 4-(2-methylpiperazin-1-yl)oxan-3-ol is CC1CNCCN1C1CCOCC1O.
What is the InChIKey of 4-(2-methylpiperazin-1-yl)oxan-3-ol?
The InChIKey is MFFPSIFIOXOVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-6-11-3-4-12(8)9-2-5-14-7-10(9)13/h8-11,13H,2-7H2,1H3.
What are the key properties of 4-(2-methylpiperazin-1-yl)oxan-3-ol?
4-(2-methylpiperazin-1-yl)oxan-3-ol has a molecular weight of 200.28 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperazin-1-yl)oxan-3-ol is sourced from PubChem (CID 165476258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).