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

C13H19N3O2 — CID 113283121

IUPACN,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
SMILESCNC1(C)CCN(c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H19N3O2/c1-13(14-2)6-8-15(9-7-13)11-4-3-5-12(10-11)16(17)18/h3-5,10,14H,6-9H2,1-2H3
InChIKeyNKHKFEQCNZCQDC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds3

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

N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine (PubChem CID 113283121) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
PubChem CID113283121
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
SMILESCNC1(C)CCN(c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H19N3O2/c1-13(14-2)6-8-15(9-7-13)11-4-3-5-12(10-11)16(17)18/h3-5,10,14H,6-9H2,1-2H3
InChIKeyNKHKFEQCNZCQDC-UHFFFAOYSA-N
XLogP2.17
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
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-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
3-methyl-1-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 55166924
1-(3-nitrophenyl)piperazine
CID 2760216
N-methyl-1-[1-(3-nitrophenyl)piperidin-4-yl]methanamine
CID 63249523
2-(methylamino)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
CID 61259786
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 59597620
1-[1-(3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55215914
2-(3-nitrophenyl)-1,3-dihydroisoindole
CID 698272
3,5-dimethyl-1-(3-nitrophenyl)piperazine
CID 55091283

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine (CID 113283121) is N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine is CNC1(C)CCN(c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine?
The InChIKey is NKHKFEQCNZCQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(14-2)6-8-15(9-7-13)11-4-3-5-12(10-11)16(17)18/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine?
N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 113283121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).