(2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol

C18H22Cl2N2O3 — CID 7222036

IUPAC(2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](CO/N=C\C1=C(Cl)c2cc(Cl)ccc2OC1)CN1CCCCC1
InChIInChI=1S/C18H22Cl2N2O3/c19-14-4-5-17-16(8-14)18(20)13(11-24-17)9-21-25-12-15(23)10-22-6-2-1-3-7-22/h4-5,8-9,15,23H,1-3,6-7,10-12H2/b21-9-/t15-/m1/s1
InChIKeyUADPAWRTQZECSE-ICFKLBPISA-N
MW385.29 g/mol
LogP3.53
Rot. Bonds6

About (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol

(2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 7222036) has the molecular formula C18H22Cl2N2O3 and a molecular weight of 385.29 g/mol. Its IUPAC name is (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
PubChem CID7222036
Molecular FormulaC18H22Cl2N2O3
Molecular Weight385.29 g/mol
Exact Mass384.10
IUPAC Name(2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](CO/N=C\C1=C(Cl)c2cc(Cl)ccc2OC1)CN1CCCCC1
InChIInChI=1S/C18H22Cl2N2O3/c19-14-4-5-17-16(8-14)18(20)13(11-24-17)9-21-25-12-15(23)10-22-6-2-1-3-7-22/h4-5,8-9,15,23H,1-3,6-7,10-12H2/b21-9-/t15-/m1/s1
InChIKeyUADPAWRTQZECSE-ICFKLBPISA-N
XLogP3.53
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
CID 2740188
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
CID 2321616
1-(isoquinolin-1-ylmethylideneamino)oxy-3-piperidin-1-ylpropan-2-ol
CID 173103008
(2R)-1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 7176756
(2S)-1-(azepan-1-yl)-3-[3-[[(3-chlorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 25458832
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
CID 73432834
1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol
CID 3709634
(2Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)thiophene-2-carboximidoyl chloride
CID 87474647
1-(1,3-benzodioxol-5-yloxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53350591
6-chloro-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-4-methylpyridine-3-carboximidoyl chloride
CID 171852943
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol (CID 7222036) is (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol is O[C@@H](CO/N=C\C1=C(Cl)c2cc(Cl)ccc2OC1)CN1CCCCC1.
What is the InChIKey of (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is UADPAWRTQZECSE-ICFKLBPISA-N. The full InChI is InChI=1S/C18H22Cl2N2O3/c19-14-4-5-17-16(8-14)18(20)13(11-24-17)9-21-25-12-15(23)10-22-6-2-1-3-7-22/h4-5,8-9,15,23H,1-3,6-7,10-12H2/b21-9-/t15-/m1/s1.
What are the key properties of (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol?
(2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 385.29 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 7222036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).