N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride

C17H23ClN2O2 — CID 73432834

IUPACN-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
SMILESOC(CON=C(Cl)C=Cc1ccccc1)CN1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c18-17(10-9-15-7-3-1-4-8-15)19-22-14-16(21)13-20-11-5-2-6-12-20/h1,3-4,7-10,16,21H,2,5-6,11-14H2
InChIKeyYZEZVMORENFHBO-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.12
Rot. Bonds7

About N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride

N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride (PubChem CID 73432834) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
PubChem CID73432834
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
SMILESOC(CON=C(Cl)C=Cc1ccccc1)CN1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c18-17(10-9-15-7-3-1-4-8-15)19-22-14-16(21)13-20-11-5-2-6-12-20/h1,3-4,7-10,16,21H,2,5-6,11-14H2
InChIKeyYZEZVMORENFHBO-UHFFFAOYSA-N
XLogP3.12
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
but-2-enedioic acid;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
CID 87925320
1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 173436955
(Z)-but-2-enedioic acid;N-(2-hydroxy-3-piperidin-1-ylpropoxy)-1-oxidopyridin-1-ium-3-carboximidoyl chloride
CID 87879747
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-2H-quinoline-1-carboximidoyl chloride
CID 150474069
1-(isoquinolin-1-ylmethylideneamino)oxy-3-piperidin-1-ylpropan-2-ol
CID 173103008
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
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
1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
CID 43865699

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride?
The IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride (CID 73432834) is N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride.
What is the SMILES notation for N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride?
The canonical SMILES for N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride is OC(CON=C(Cl)C=Cc1ccccc1)CN1CCCCC1.
What is the InChIKey of N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride?
The InChIKey is YZEZVMORENFHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-17(10-9-15-7-3-1-4-8-15)19-22-14-16(21)13-20-11-5-2-6-12-20/h1,3-4,7-10,16,21H,2,5-6,11-14H2.
What are the key properties of N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride?
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride has a molecular weight of 322.84 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride is sourced from PubChem (CID 73432834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).