4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine

C17H17ClN2O3 — CID 133391038

IUPAC4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccccc1N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN2O3/c18-14-5-1-4-8-17(14)23-13-9-11-19(12-10-13)15-6-2-3-7-16(15)20(21)22/h1-8,13H,9-12H2
InChIKeyRDOKSVNARVKGIC-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.30
Rot. Bonds4

About 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine

4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine (PubChem CID 133391038) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine
PubChem CID133391038
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccccc1N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN2O3/c18-14-5-1-4-8-17(14)23-13-9-11-19(12-10-13)15-6-2-3-7-16(15)20(21)22/h1-8,13H,9-12H2
InChIKeyRDOKSVNARVKGIC-UHFFFAOYSA-N
XLogP4.30
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.30
H-Bond Donors ≤ 50
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

[3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol
CID 133438594
4-(2-chlorophenoxy)-1-(4-methylsulfonyl-2-nitrophenyl)piperidine
CID 133390911
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine
CID 133330809
(4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 46794243
4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one
CID 133390833
N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9205519
4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25359789

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine?
The IUPAC name of 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine (CID 133391038) is 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine?
The canonical SMILES for 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine is O=[N+]([O-])c1ccccc1N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine?
The InChIKey is RDOKSVNARVKGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-5-1-4-8-17(14)23-13-9-11-19(12-10-13)15-6-2-3-7-16(15)20(21)22/h1-8,13H,9-12H2.
What are the key properties of 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine?
4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine has a molecular weight of 332.79 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-1-(2-nitrophenyl)piperidine is sourced from PubChem (CID 133391038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).