2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine

C12H25N3O — CID 115415067

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine
SMILESCN1CCN(C)C(CC(N)C2CCOC2)C1
InChIInChI=1S/C12H25N3O/c1-14-4-5-15(2)11(8-14)7-12(13)10-3-6-16-9-10/h10-12H,3-9,13H2,1-2H3
InChIKeyFHALPLGCXPKXPW-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.01
Rot. Bonds3

About 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine

2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 115415067) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID115415067
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine
SMILESCN1CCN(C)C(CC(N)C2CCOC2)C1
InChIInChI=1S/C12H25N3O/c1-14-4-5-15(2)11(8-14)7-12(13)10-3-6-16-9-10/h10-12H,3-9,13H2,1-2H3
InChIKeyFHALPLGCXPKXPW-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158
2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol
CID 115414793
[2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105260141
1-(3,5-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415017
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448316
1-(oxolan-3-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 104746984

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine (CID 115415067) is 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine is CN1CCN(C)C(CC(N)C2CCOC2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is FHALPLGCXPKXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-4-5-15(2)11(8-14)7-12(13)10-3-6-16-9-10/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine?
2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115415067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).