1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol

C17H22N2O2S2 — CID 110183081

IUPAC1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
SMILESOC(CON=C(c1ccsc1)c1ccsc1)CN1CCCCC1
InChIInChI=1S/C17H22N2O2S2/c20-16(10-19-6-2-1-3-7-19)11-21-18-17(14-4-8-22-12-14)15-5-9-23-13-15/h4-5,8-9,12-13,16,20H,1-3,6-7,10-11H2
InChIKeyWXUOFQXFPNHDAA-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.43
Rot. Bonds7

About 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol

1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 110183081) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
PubChem CID110183081
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
SMILESOC(CON=C(c1ccsc1)c1ccsc1)CN1CCCCC1
InChIInChI=1S/C17H22N2O2S2/c20-16(10-19-6-2-1-3-7-19)11-21-18-17(14-4-8-22-12-14)15-5-9-23-13-15/h4-5,8-9,12-13,16,20H,1-3,6-7,10-11H2
InChIKeyWXUOFQXFPNHDAA-UHFFFAOYSA-N
XLogP3.43
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)thiophene-2-carboximidoyl chloride
CID 87474647
1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol
CID 10380266
1-hydroxy-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridin-1-ium-3-carboximidamide
CID 164938287
N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
CID 76956160
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
CID 73432834
1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
CID 66352154
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride;dihydrochloride
CID 87879749
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
3-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]propane-1,2-diol
CID 110182850
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 173436955

Frequently Asked Questions

What is the IUPAC name of 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol (CID 110183081) is 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol is OC(CON=C(c1ccsc1)c1ccsc1)CN1CCCCC1.
What is the InChIKey of 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is WXUOFQXFPNHDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c20-16(10-19-6-2-1-3-7-19)11-21-18-17(14-4-8-22-12-14)15-5-9-23-13-15/h4-5,8-9,12-13,16,20H,1-3,6-7,10-11H2.
What are the key properties of 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol?
1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 350.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 110183081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).