2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

C12H25N3O — CID 60923579

IUPAC2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCN1CCN(CCNCC2CCOC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-5-7-15(8-6-14)4-3-13-10-12-2-9-16-11-12/h12-13H,2-11H2,1H3
InChIKeyFQOUPRIPXHQXCF-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.14
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 60923579) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID60923579
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCN1CCN(CCNCC2CCOC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-5-7-15(8-6-14)4-3-13-10-12-2-9-16-11-12/h12-13H,2-11H2,1H3
InChIKeyFQOUPRIPXHQXCF-UHFFFAOYSA-N
XLogP-0.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(Oxolan-3-yl)methyl]piperazine
CID 13742285
9-Methyl-2-oxa-6,9-diazaspiro(4.5)decane
CID 121207667
6-Methyl-2-oxa-6,9-diazaspiro[4.5]decane
CID 84021039
1-Methyl-2-(oxetan-3-yl)piperazine
CID 116984957
N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54594205
N-(oxolan-3-ylmethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090315
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560473
N-(oxolan-3-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575080
N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 62575497
N-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methyl]ethanamine
CID 62968455
N-(oxolan-3-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 65530946

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 60923579) is 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is CN1CCN(CCNCC2CCOC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is FQOUPRIPXHQXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-5-7-15(8-6-14)4-3-13-10-12-2-9-16-11-12/h12-13H,2-11H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 60923579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).