N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine

C15H23N3O2 — CID 60805967

IUPACN-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1cccc([N+](=O)[O-])c1)C1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-2-10-17(14-6-8-16-9-7-14)12-13-4-3-5-15(11-13)18(19)20/h3-5,11,14,16H,2,6-10,12H2,1H3
InChIKeyRJLLJODBMBXJAI-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.56
Rot. Bonds6

About N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine

N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 60805967) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine
PubChem CID60805967
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1cccc([N+](=O)[O-])c1)C1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-2-10-17(14-6-8-16-9-7-14)12-13-4-3-5-15(11-13)18(19)20/h3-5,11,14,16H,2,6-10,12H2,1H3
InChIKeyRJLLJODBMBXJAI-UHFFFAOYSA-N
XLogP2.56
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.56
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-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376
N-[(3-chloro-4-nitrophenyl)methyl]-N-propylpiperidin-4-amine
CID 120835447
3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823365
N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922746
N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine
CID 60806659
methyl 3-[[piperidin-4-yl(propyl)amino]methyl]benzoate;hydrochloride
CID 120835573
3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
CID 119933024
N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63304118
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
3-ethyl-N-[2-(3-nitrophenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide
CID 118527398
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-[methylsulfonyl(piperidin-4-yl)methyl]-1-(3-nitrophenyl)-N-propylpropan-2-amine
CID 18353162

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine (CID 60805967) is N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine is CCCN(Cc1cccc([N+](=O)[O-])c1)C1CCNCC1.
What is the InChIKey of N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is RJLLJODBMBXJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-10-17(14-6-8-16-9-7-14)12-13-4-3-5-15(11-13)18(19)20/h3-5,11,14,16H,2,6-10,12H2,1H3.
What are the key properties of N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine?
N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 60805967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).