1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine

C14H21N3O2 — CID 43718239

IUPAC1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-9-16(3)11(2)8-13(10)15-12-6-4-5-7-14(12)17(18)19/h4-7,10-11,13,15H,8-9H2,1-3H3
InChIKeyKPBRNQAFVYODRK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.74
Rot. Bonds3

About 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine

1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine (PubChem CID 43718239) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine
PubChem CID43718239
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-9-16(3)11(2)8-13(10)15-12-6-4-5-7-14(12)17(18)19/h4-7,10-11,13,15H,8-9H2,1-3H3
InChIKeyKPBRNQAFVYODRK-UHFFFAOYSA-N
XLogP2.74
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.74
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

N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 62098099
N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 82865025
1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 43718577
N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43733213
1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 43665342
N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 43078427
1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 114504833
N-(4-fluoro-2-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465828
N-(3-methoxycyclobutyl)-2-nitroaniline
CID 104576705
5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
CID 65341327
N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine
CID 58349732
N-(5-chloro-2-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665303

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine (CID 43718239) is 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine is CC1CN(C)C(C)CC1Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine?
The InChIKey is KPBRNQAFVYODRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-16(3)11(2)8-13(10)15-12-6-4-5-7-14(12)17(18)19/h4-7,10-11,13,15H,8-9H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine?
1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 43718239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).