[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol

C12H24N2O2 — CID 63620081

IUPAC[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
SMILESCC1CN(CC2(CO)CCOC2)CCN1C
InChIInChI=1S/C12H24N2O2/c1-11-7-14(5-4-13(11)2)8-12(9-15)3-6-16-10-12/h11,15H,3-10H2,1-2H3
InChIKeyVNYGRWXCCGRFOM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.02
Rot. Bonds3

About [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol

[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol (PubChem CID 63620081) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
PubChem CID63620081
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
SMILESCC1CN(CC2(CO)CCOC2)CCN1C
InChIInChI=1S/C12H24N2O2/c1-11-7-14(5-4-13(11)2)8-12(9-15)3-6-16-10-12/h11,15H,3-10H2,1-2H3
InChIKeyVNYGRWXCCGRFOM-UHFFFAOYSA-N
XLogP0.02
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol (CID 63620081) is [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol is CC1CN(CC2(CO)CCOC2)CCN1C.
What is the InChIKey of [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The InChIKey is VNYGRWXCCGRFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11-7-14(5-4-13(11)2)8-12(9-15)3-6-16-10-12/h11,15H,3-10H2,1-2H3.
What are the key properties of [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol has a molecular weight of 228.34 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 63620081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).