1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine

C16H22ClN3O2 — CID 2841163

IUPAC1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)c(Cl)c1N1CCCCC1
InChIInChI=1S/C16H22ClN3O2/c17-15-13(18-9-3-1-4-10-18)7-8-14(20(21)22)16(15)19-11-5-2-6-12-19/h7-8H,1-6,9-12H2
InChIKeyOZGSOKDOBADRDJ-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.23
Rot. Bonds3

About 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine

1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine (PubChem CID 2841163) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine.

Molecular Properties

Compound Name1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine
PubChem CID2841163
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)c(Cl)c1N1CCCCC1
InChIInChI=1S/C16H22ClN3O2/c17-15-13(18-9-3-1-4-10-18)7-8-14(20(21)22)16(15)19-11-5-2-6-12-19/h7-8H,1-6,9-12H2
InChIKeyOZGSOKDOBADRDJ-UHFFFAOYSA-N
XLogP4.23
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.23
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'}

Analyze 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Chloro-2-nitrophenyl)piperidine
CID 3096079
1-Chloro-2,4-dimorpholino-5-nitrobenzene
CID 2797445
1-(2-Chloro-4-nitrophenyl)-4-methylpiperazine
CID 2837294
2-Chloro-5-(4-methyl-1-piperidinyl)-4-nitroaniline
CID 2921571
1-(2-Chloro-5-nitrophenyl)-4-methylpiperazine
CID 673952
1-Methyl-4-(4-nitro-3-(piperidin-1-yl)phenyl)piperazine
CID 2885704
4-Chloro-2-nitro-5-(1-pyrrolidinyl)aniline
CID 3613709
1-(4-Chloro-2-nitrophenyl)piperidine
CID 285318
2-Chloro-4-nitro-5-piperazin-1-ylaniline
CID 2918662
2-Chloro-4-nitro-5-(piperidin-1-yl)aniline
CID 3100197
4-Chloro-2-nitro-5-piperidinoaniline
CID 3567990
1-Nitro-2,4-dipiperidinobenzene
CID 4049694

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine?
The IUPAC name of 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine (CID 2841163) is 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine.
What is the SMILES notation for 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine?
The canonical SMILES for 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine is O=[N+]([O-])c1ccc(N2CCCCC2)c(Cl)c1N1CCCCC1.
What is the InChIKey of 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine?
The InChIKey is OZGSOKDOBADRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c17-15-13(18-9-3-1-4-10-18)7-8-14(20(21)22)16(15)19-11-5-2-6-12-19/h7-8H,1-6,9-12H2.
What are the key properties of 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine?
1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine has a molecular weight of 323.82 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitro-3-piperidin-1-ylphenyl)piperidine is sourced from PubChem (CID 2841163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).