N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine

C13H19N3O2 — CID 104757390

IUPACN-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC1CCCNC1
InChIInChI=1S/C13H19N3O2/c1-9-6-10(2)13(16(17)18)7-12(9)15-11-4-3-5-14-8-11/h6-7,11,14-15H,3-5,8H2,1-2H3
InChIKeyIUTTZYWVQQODST-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.38
Rot. Bonds3

About N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine

N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine (PubChem CID 104757390) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine
PubChem CID104757390
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC1CCCNC1
InChIInChI=1S/C13H19N3O2/c1-9-6-10(2)13(16(17)18)7-12(9)15-11-4-3-5-14-8-11/h6-7,11,14-15H,3-5,8H2,1-2H3
InChIKeyIUTTZYWVQQODST-UHFFFAOYSA-N
XLogP2.38
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.38
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

N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine
CID 103144891
N-(2,4-dimethyl-5-nitrophenyl)-1-methylazepan-4-amine
CID 104757350
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
CID 104757646
N-(4,4-dimethylcyclohexyl)-2,4-dimethyl-5-nitroaniline
CID 104757636
N-(4,5-dimethoxy-2-nitrophenyl)azepan-3-amine
CID 83004062
N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 103145183
N-(2,5-dimethyl-4-nitrophenyl)-1-methylazepan-4-amine
CID 103144841
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634
2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
CID 104757489
N-(3-methoxycyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 106872073
N-(5-chloro-2-methyl-4-nitrophenyl)cyclooctanamine
CID 115555651
N-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63319110

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine?
The IUPAC name of N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine (CID 104757390) is N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine.
What is the SMILES notation for N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine?
The canonical SMILES for N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine is Cc1cc(C)c([N+](=O)[O-])cc1NC1CCCNC1.
What is the InChIKey of N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine?
The InChIKey is IUTTZYWVQQODST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-10(2)13(16(17)18)7-12(9)15-11-4-3-5-14-8-11/h6-7,11,14-15H,3-5,8H2,1-2H3.
What are the key properties of N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine?
N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine has a molecular weight of 249.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine is sourced from PubChem (CID 104757390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).