4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine

C11H11Cl3N2O2 — CID 137333212

IUPAC4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCC(Cl)(Cl)CC1
InChIInChI=1S/C11H11Cl3N2O2/c12-8-2-1-3-9(16(17)18)10(8)15-6-4-11(13,14)5-7-15/h1-3H,4-7H2
InChIKeyLSVHGDRPCSTYPH-UHFFFAOYSA-N
MW309.58 g/mol
LogP4.02
Rot. Bonds2

About 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine

4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine (PubChem CID 137333212) has the molecular formula C11H11Cl3N2O2 and a molecular weight of 309.58 g/mol. Its IUPAC name is 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine.

Molecular Properties

Compound Name4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine
PubChem CID137333212
Molecular FormulaC11H11Cl3N2O2
Molecular Weight309.58 g/mol
Exact Mass307.99
IUPAC Name4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCC(Cl)(Cl)CC1
InChIInChI=1S/C11H11Cl3N2O2/c12-8-2-1-3-9(16(17)18)10(8)15-6-4-11(13,14)5-7-15/h1-3H,4-7H2
InChIKeyLSVHGDRPCSTYPH-UHFFFAOYSA-N
XLogP4.02
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine
CID 163241693
4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide
CID 163241609
1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3740167
[1-(2-chloro-6-nitrophenyl)piperidin-4-yl] carbamate
CID 175117649
(4-chloro-3-nitrophenyl)-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methanone
CID 22778253
1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]hexan-1-one
CID 2958691
2,3-dichloro-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]benzamide
CID 23097126
[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 4000572
[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 22778376
1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 19631259
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1266149
5-bromo-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide
CID 21168581

Frequently Asked Questions

What is the IUPAC name of 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine?
The IUPAC name of 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine (CID 137333212) is 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine.
What is the SMILES notation for 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine?
The canonical SMILES for 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine is O=[N+]([O-])c1cccc(Cl)c1N1CCC(Cl)(Cl)CC1.
What is the InChIKey of 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine?
The InChIKey is LSVHGDRPCSTYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N2O2/c12-8-2-1-3-9(16(17)18)10(8)15-6-4-11(13,14)5-7-15/h1-3H,4-7H2.
What are the key properties of 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine?
4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine has a molecular weight of 309.58 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine is sourced from PubChem (CID 137333212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).