1-(4-nitro-3-piperidin-1-ylphenyl)piperidine

C16H23N3O2 — CID 4049694

IUPAC1-(4-nitro-3-piperidin-1-ylphenyl)piperidine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)cc1N1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-19(21)15-8-7-14(17-9-3-1-4-10-17)13-16(15)18-11-5-2-6-12-18/h7-8,13H,1-6,9-12H2
InChIKeyPQKPUBVDVNZAAX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.58
Rot. Bonds3

About 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine

1-(4-nitro-3-piperidin-1-ylphenyl)piperidine (PubChem CID 4049694) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine.

Molecular Properties

Compound Name1-(4-nitro-3-piperidin-1-ylphenyl)piperidine
PubChem CID4049694
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(4-nitro-3-piperidin-1-ylphenyl)piperidine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)cc1N1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-19(21)15-8-7-14(17-9-3-1-4-10-17)13-16(15)18-11-5-2-6-12-18/h7-8,13H,1-6,9-12H2
InChIKeyPQKPUBVDVNZAAX-UHFFFAOYSA-N
XLogP3.58
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.58
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

Piperidine, 1-(4-nitrophenyl)-
CID 81049
5-(4-Methylpiperazin-1-yl)-2-nitroaniline
CID 2760034
N-ethyl-2,4-dinitroaniline
CID 77454
1-(2,4-Dinitrophenyl)piperidine
CID 225454
1-(3-Nitrophenyl)piperazine
CID 2760216
1-(2-Nitrophenyl)piperazine
CID 100949
N,N-Diethyl-2,4-dinitroaniline
CID 70045
N-Butyl-2,4-dinitroaniline
CID 260939
1-(4-Fluorophenyl)-4-(4-nitrophenyl)piperazine
CID 2765094
1-(4-Nitro-3-piperidin-1-ylphenyl)piperazine
CID 2867076
N-ethyl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 2974347
Mls001183678
CID 4011831

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine?
The IUPAC name of 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine (CID 4049694) is 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine.
What is the SMILES notation for 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine?
The canonical SMILES for 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine is O=[N+]([O-])c1ccc(N2CCCCC2)cc1N1CCCCC1.
What is the InChIKey of 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine?
The InChIKey is PQKPUBVDVNZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-19(21)15-8-7-14(17-9-3-1-4-10-17)13-16(15)18-11-5-2-6-12-18/h7-8,13H,1-6,9-12H2.
What are the key properties of 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine?
1-(4-nitro-3-piperidin-1-ylphenyl)piperidine has a molecular weight of 289.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitro-3-piperidin-1-ylphenyl)piperidine is sourced from PubChem (CID 4049694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).