N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine

C11H13Cl2N3O2 — CID 106891652

IUPACN-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine
SMILESO=[N+]([O-])c1cc(Cl)c(NN2CCCCC2)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c12-9-6-8(16(17)18)7-10(13)11(9)14-15-4-2-1-3-5-15/h6-7,14H,1-5H2
InChIKeyIPNPOGBRLVPTPR-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.71
Rot. Bonds3

About N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine

N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine (PubChem CID 106891652) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine
PubChem CID106891652
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC NameN-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine
SMILESO=[N+]([O-])c1cc(Cl)c(NN2CCCCC2)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c12-9-6-8(16(17)18)7-10(13)11(9)14-15-4-2-1-3-5-15/h6-7,14H,1-5H2
InChIKeyIPNPOGBRLVPTPR-UHFFFAOYSA-N
XLogP3.71
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.71
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

3-chloro-2-(morpholin-4-ylamino)-5-nitrobenzoic acid
CID 107191107
2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide
CID 107189307
N-(3-methyl-5-nitrophenyl)piperidin-1-amine
CID 112649381
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
2-(2,6-dichloro-4-nitroanilino)cycloheptan-1-ol
CID 106891661
2-(azepan-1-yl)-3-chloro-5-nitrobenzoic acid
CID 107189758
azepan-1-yl-(2,3-dichloro-5-nitrophenyl)methanone
CID 107187053
cyclopentyl-[3-(2,6-dichloro-4-nitroanilino)pyrrolidin-1-yl]methanone
CID 133492676
2-bromo-6-chloro-N-cyclohexyl-4-nitroaniline
CID 50879522
1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine
CID 50879928
3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine
CID 83025553
3-chloro-2-[(1-methylcyclohexyl)amino]-5-nitrobenzoic acid
CID 107190519

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine?
The IUPAC name of N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine (CID 106891652) is N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine.
What is the SMILES notation for N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine?
The canonical SMILES for N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine is O=[N+]([O-])c1cc(Cl)c(NN2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine?
The InChIKey is IPNPOGBRLVPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c12-9-6-8(16(17)18)7-10(13)11(9)14-15-4-2-1-3-5-15/h6-7,14H,1-5H2.
What are the key properties of N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine?
N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine has a molecular weight of 290.15 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine is sourced from PubChem (CID 106891652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).