1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine

C15H21N3O2 — CID 60977775

IUPAC1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine
SMILESO=[N+]([O-])c1cccc(N2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C15H21N3O2/c19-18(20)14-6-1-5-13(10-14)17-9-3-4-12(11-17)15-7-2-8-16-15/h1,5-6,10,12,15-16H,2-4,7-9,11H2
InChIKeyBKGAKEORPAYHBE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.56
Rot. Bonds3

About 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine

1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 60977775) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID60977775
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine
SMILESO=[N+]([O-])c1cccc(N2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C15H21N3O2/c19-18(20)14-6-1-5-13(10-14)17-9-3-4-12(11-17)15-7-2-8-16-15/h1,5-6,10,12,15-16H,2-4,7-9,11H2
InChIKeyBKGAKEORPAYHBE-UHFFFAOYSA-N
XLogP2.56
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
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

(4aS,7aS)-6-(3-nitrophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683876
1-(3-iodo-4-nitrophenyl)-3-pyrrolidin-2-ylpiperidine
CID 106493393
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
6-(3-nitrophenyl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680967
6-(3-methyl-5-nitrophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683398
6-(2,4-dinitrophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683457
(4aS,7aS)-6-[1-(3-nitrophenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678797
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
2-(3-nitrophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999431
1-(3-nitrophenyl)piperazine
CID 2760216

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine (CID 60977775) is 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine is O=[N+]([O-])c1cccc(N2CCCC(C3CCCN3)C2)c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is BKGAKEORPAYHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-18(20)14-6-1-5-13(10-14)17-9-3-4-12(11-17)15-7-2-8-16-15/h1,5-6,10,12,15-16H,2-4,7-9,11H2.
What are the key properties of 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine?
1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 275.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 60977775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).