1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine

C14H21N3O2 — CID 114504833

IUPAC1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
SMILESCc1c(NC2CCN(C)CC2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-9-16(3)8-7-12(10)15-13-5-4-6-14(11(13)2)17(18)19/h4-6,10,12,15H,7-9H2,1-3H3
InChIKeyAGFGUYLGATUXIE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.66
Rot. Bonds3

About 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine

1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine (PubChem CID 114504833) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
PubChem CID114504833
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
SMILESCc1c(NC2CCN(C)CC2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-9-16(3)8-7-12(10)15-13-5-4-6-14(11(13)2)17(18)19/h4-6,10,12,15H,7-9H2,1-3H3
InChIKeyAGFGUYLGATUXIE-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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

1,3-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine
CID 114503511
N-(2-methyl-3-nitrophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 63077089
1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
CID 114504643
N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine
CID 114504788
N-(1,3-dimethylpiperidin-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 115598638
1-N-(2-methyl-3-nitrophenyl)cycloheptane-1,2-diamine
CID 55167647
1-N-methyl-4-N-(2-methyl-3-nitrophenyl)cyclohexane-1,4-diamine
CID 79110564
N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
CID 63541805
2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-nitroaniline
CID 43719610
2-methyl-N-(2-methylsulfonylcyclopentyl)-3-nitroaniline
CID 65043985
N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 61016357
N-(2,2-dimethylcyclopentyl)-2-methyl-3-nitroaniline
CID 79859590

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine (CID 114504833) is 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine is Cc1c(NC2CCN(C)CC2C)cccc1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
The InChIKey is AGFGUYLGATUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-16(3)8-7-12(10)15-13-5-4-6-14(11(13)2)17(18)19/h4-6,10,12,15H,7-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine?
1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 114504833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).