2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol

C13H16Cl2N2O3 — CID 106891932

IUPAC2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol
SMILESO=[N+]([O-])c1cc(Cl)c(N2CCCCC2CCO)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c14-11-7-10(17(19)20)8-12(15)13(11)16-5-2-1-3-9(16)4-6-18/h7-9,18H,1-6H2
InChIKeyKGTHBXGBPHMCNE-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.64
Rot. Bonds4

About 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol

2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol (PubChem CID 106891932) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol
PubChem CID106891932
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol
SMILESO=[N+]([O-])c1cc(Cl)c(N2CCCCC2CCO)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c14-11-7-10(17(19)20)8-12(15)13(11)16-5-2-1-3-9(16)4-6-18/h7-9,18H,1-6H2
InChIKeyKGTHBXGBPHMCNE-UHFFFAOYSA-N
XLogP3.64
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dichloro-4-nitrophenyl)piperidine-2-carbaldehyde
CID 106892004
2-[1-(4-chloro-2-nitrophenyl)piperidin-2-yl]ethanol
CID 60677657
N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 111102185
1-(2-chloro-4,6-dinitrophenyl)-2-methylpiperidine
CID 50880002
5-[2-(2-hydroxyethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 115500609
[1-(2,6-dichloro-4-nitrophenyl)piperidin-4-yl]methanol
CID 103952600
1-(2,6-dichloro-4-nitrophenyl)piperidine-3-carboxylic acid
CID 106891078
[1-(2,6-dichloro-4-nitrophenyl)-3-methylpiperidin-2-yl]methanamine
CID 106891806
4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide
CID 60677769
2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol
CID 80767784
2-[1-(3-methyl-5-nitrophenyl)piperidin-2-yl]ethanamine
CID 112649492
2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol
CID 117028575

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol (CID 106891932) is 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol is O=[N+]([O-])c1cc(Cl)c(N2CCCCC2CCO)c(Cl)c1.
What is the InChIKey of 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol?
The InChIKey is KGTHBXGBPHMCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c14-11-7-10(17(19)20)8-12(15)13(11)16-5-2-1-3-9(16)4-6-18/h7-9,18H,1-6H2.
What are the key properties of 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol?
2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol has a molecular weight of 319.19 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichloro-4-nitrophenyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 106891932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).