N-(2-methyl-3-nitrophenyl)piperidin-4-amine

C12H17N3O2 — CID 61016357

IUPACN-(2-methyl-3-nitrophenyl)piperidin-4-amine
SMILESCc1c(NC2CCNCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O2/c1-9-11(3-2-4-12(9)15(16)17)14-10-5-7-13-8-6-10/h2-4,10,13-14H,5-8H2,1H3
InChIKeyFPUSRVMBSXMYHN-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.07
Rot. Bonds3

About N-(2-methyl-3-nitrophenyl)piperidin-4-amine

N-(2-methyl-3-nitrophenyl)piperidin-4-amine (PubChem CID 61016357) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)piperidin-4-amine
PubChem CID61016357
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-methyl-3-nitrophenyl)piperidin-4-amine
SMILESCc1c(NC2CCNCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O2/c1-9-11(3-2-4-12(9)15(16)17)14-10-5-7-13-8-6-10/h2-4,10,13-14H,5-8H2,1H3
InChIKeyFPUSRVMBSXMYHN-UHFFFAOYSA-N
XLogP2.07
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
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-N-methyl-4-N-(2-methyl-3-nitrophenyl)cyclohexane-1,4-diamine
CID 79110564
N-(2-methyl-3-nitrophenyl)oxepan-4-amine
CID 65081434
N-(2-methyl-3-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 63077105
N-(2-methyl-3-nitrophenyl)-1,1-dioxothian-3-amine
CID 63909898
2-methyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960629
2-methyl-3-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386306
N-(2-methyl-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086869
N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride
CID 53255785
4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 114697177
N-(2-methyl-3-nitrophenyl)-1-propylazepan-4-amine
CID 65074617
N-(5-chloro-4-methyl-2-nitrophenyl)piperidin-4-amine
CID 70315784
2-methyl-N-(2-methylsulfonylcyclopentyl)-3-nitroaniline
CID 65043985

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
The IUPAC name of N-(2-methyl-3-nitrophenyl)piperidin-4-amine (CID 61016357) is N-(2-methyl-3-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)piperidin-4-amine is Cc1c(NC2CCNCC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
The InChIKey is FPUSRVMBSXMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-11(3-2-4-12(9)15(16)17)14-10-5-7-13-8-6-10/h2-4,10,13-14H,5-8H2,1H3.
What are the key properties of N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
N-(2-methyl-3-nitrophenyl)piperidin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 61016357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).