1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol

C12H27N3O — CID 43165810

IUPAC1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCN(CC)CC1
InChIInChI=1S/C12H27N3O/c1-3-5-13-10-12(16)11-15-8-6-14(4-2)7-9-15/h12-13,16H,3-11H2,1-2H3
InChIKeyKJODDDSUUXAMGV-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds7

About 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol

1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol (PubChem CID 43165810) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
PubChem CID43165810
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCN(CC)CC1
InChIInChI=1S/C12H27N3O/c1-3-5-13-10-12(16)11-15-8-6-14(4-2)7-9-15/h12-13,16H,3-11H2,1-2H3
InChIKeyKJODDDSUUXAMGV-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 61429736
1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 55063736
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol
CID 43620319
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(propylamino)propan-2-ol
CID 114218337
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-(propylamino)propan-2-ol
CID 81464324
1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
CID 61429689
1-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)-3-(propylamino)propan-2-ol
CID 112751968
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255604
1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol
CID 82943258

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol (CID 43165810) is 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol is CCCNCC(O)CN1CCN(CC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
The InChIKey is KJODDDSUUXAMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-5-13-10-12(16)11-15-8-6-14(4-2)7-9-15/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 43165810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).