4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine

C14H16N4O2 — CID 71098478

IUPAC4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccccc1N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C14H16N4O2/c19-18(20)14-4-2-1-3-13(14)17-7-5-11(6-8-17)12-9-15-10-16-12/h1-4,9-11H,5-8H2,(H,15,16)
InChIKeyRHTJUYMMBKGQHW-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.70
Rot. Bonds3

About 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine

4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine (PubChem CID 71098478) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine
PubChem CID71098478
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccccc1N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C14H16N4O2/c19-18(20)14-4-2-1-3-13(14)17-7-5-11(6-8-17)12-9-15-10-16-12/h1-4,9-11H,5-8H2,(H,15,16)
InChIKeyRHTJUYMMBKGQHW-UHFFFAOYSA-N
XLogP2.70
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.70
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

4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine
CID 133279989
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
2-[1-(2-nitrophenyl)piperidin-4-yl]-1,3-benzoxazole
CID 33089272
2-[1-(2-nitrophenyl)piperidin-4-yl]-1,3-benzothiazole
CID 7922983
4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine
CID 66202975
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 40954386
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 31846735
(3R,5R)-3,5-dimethyl-1-(2-nitrophenyl)piperazine
CID 7059973

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine?
The IUPAC name of 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine (CID 71098478) is 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine?
The canonical SMILES for 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine is O=[N+]([O-])c1ccccc1N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine?
The InChIKey is RHTJUYMMBKGQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-18(20)14-4-2-1-3-13(14)17-7-5-11(6-8-17)12-9-15-10-16-12/h1-4,9-11H,5-8H2,(H,15,16).
What are the key properties of 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine?
4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine has a molecular weight of 272.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine is sourced from PubChem (CID 71098478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).