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

C13H19N3O2 — CID 59597620

IUPACN,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
SMILESCN(C)C1CCN(c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H19N3O2/c1-14(2)11-6-8-15(9-7-11)12-4-3-5-13(10-12)16(17)18/h3-5,10-11H,6-9H2,1-2H3
InChIKeyNHDOLZXWCQHQGT-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds3

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

N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine (PubChem CID 59597620) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
PubChem CID59597620
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
SMILESCN(C)C1CCN(c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H19N3O2/c1-14(2)11-6-8-15(9-7-11)12-4-3-5-13(10-12)16(17)18/h3-5,10-11H,6-9H2,1-2H3
InChIKeyNHDOLZXWCQHQGT-UHFFFAOYSA-N
XLogP2.13
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
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-[1-(3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55215914
N-methyl-1-[1-(3-nitrophenyl)piperidin-4-yl]methanamine
CID 63249523
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
4-methyl-1-(3-nitrophenyl)piperidin-3-ol
CID 113347866
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine
CID 159183321
1-(3-nitrophenyl)piperazine
CID 2760216
4-benzyl-1-(3-nitrophenyl)piperidine
CID 11652301
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
3,5-dimethyl-1-(3-nitrophenyl)piperazine
CID 55091283

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine (CID 59597620) is N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine is CN(C)C1CCN(c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine?
The InChIKey is NHDOLZXWCQHQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14(2)11-6-8-15(9-7-11)12-4-3-5-13(10-12)16(17)18/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine?
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 59597620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).