1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol

C13H28N2O — CID 43266432

IUPAC1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCCCC1CC
InChIInChI=1S/C13H28N2O/c1-3-8-14-10-13(16)11-15-9-6-5-7-12(15)4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyJPDSHLHSPHAINV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds7

About 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol

1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol (PubChem CID 43266432) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol
PubChem CID43266432
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCCCC1CC
InChIInChI=1S/C13H28N2O/c1-3-8-14-10-13(16)11-15-9-6-5-7-12(15)4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyJPDSHLHSPHAINV-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113441633
1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol
CID 104691333
(2R)-1-(2-ethylpiperidin-1-yl)-3-(methyldiazenyl)propan-2-ol
CID 67565871
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol
CID 43620319
1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 55063736
3-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62417620
3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104692283
N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745004
3-(2-ethylazepan-1-yl)-2-methyl-N-propylbutan-1-amine
CID 113441982
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol (CID 43266432) is 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol is CCCNCC(O)CN1CCCCC1CC.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol?
The InChIKey is JPDSHLHSPHAINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-8-14-10-13(16)11-15-9-6-5-7-12(15)4-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol?
1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 43266432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).