1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol

C13H29N3O2 — CID 113317417

IUPAC1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
SMILESCCCN1CCN(CC(O)CNCCOC)CC1
InChIInChI=1S/C13H29N3O2/c1-3-5-15-6-8-16(9-7-15)12-13(17)11-14-4-10-18-2/h13-14,17H,3-12H2,1-2H3
InChIKeyZBODNGVJKBYAOO-UHFFFAOYSA-N
MW259.39 g/mol
LogP-0.39
Rot. Bonds9

About 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol

1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol (PubChem CID 113317417) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
PubChem CID113317417
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
SMILESCCCN1CCN(CC(O)CNCCOC)CC1
InChIInChI=1S/C13H29N3O2/c1-3-5-15-6-8-16(9-7-15)12-13(17)11-14-4-10-18-2/h13-14,17H,3-12H2,1-2H3
InChIKeyZBODNGVJKBYAOO-UHFFFAOYSA-N
XLogP-0.39
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475228
1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475430
1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 43165810
N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62568582
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113317455
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
1-(2-methoxyethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 115475490
1-(4-propylpiperazin-1-yl)pentan-2-ol
CID 62043435
1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 61429736
1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
CID 115475222

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol (CID 113317417) is 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol is CCCN1CCN(CC(O)CNCCOC)CC1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol?
The InChIKey is ZBODNGVJKBYAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-3-5-15-6-8-16(9-7-15)12-13(17)11-14-4-10-18-2/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol?
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of -0.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 113317417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).