2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine

C13H27N3O — CID 62386351

IUPAC2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCN1CCN(CCNCC2CCOCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-6-8-16(9-7-15)5-4-14-12-13-2-10-17-11-3-13/h13-14H,2-12H2,1H3
InChIKeyBPUACJWAQBGBLS-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.25
Rot. Bonds5

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

2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62386351) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62386351
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCN1CCN(CCNCC2CCOCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15-6-8-16(9-7-15)5-4-14-12-13-2-10-17-11-3-13/h13-14H,2-12H2,1H3
InChIKeyBPUACJWAQBGBLS-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine (CID 62386351) is 2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine is CN1CCN(CCNCC2CCOCC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is BPUACJWAQBGBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15-6-8-16(9-7-15)5-4-14-12-13-2-10-17-11-3-13/h13-14H,2-12H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine?
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 241.38 g/mol, XLogP of 0.25, 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-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62386351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).