1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine

C15H20ClN3O2 — CID 115471846

IUPAC1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1N1CCCCC1C1CCCN1
InChIInChI=1S/C15H20ClN3O2/c16-11-6-7-14(19(20)21)15(10-11)18-9-2-1-5-13(18)12-4-3-8-17-12/h6-7,10,12-13,17H,1-5,8-9H2
InChIKeyXATBBSYPRWBVTI-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.36
Rot. Bonds3

About 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine

1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine (PubChem CID 115471846) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
PubChem CID115471846
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1N1CCCCC1C1CCCN1
InChIInChI=1S/C15H20ClN3O2/c16-11-6-7-14(19(20)21)15(10-11)18-9-2-1-5-13(18)12-4-3-8-17-12/h6-7,10,12-13,17H,1-5,8-9H2
InChIKeyXATBBSYPRWBVTI-UHFFFAOYSA-N
XLogP3.36
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.36
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

1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 63254283
1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
CID 104839330
1-(2-methyl-5-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 63254369
5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 63254418
1-(5-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113315902
[1-(5-chloro-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 115471938
1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62274794
[1-(5-chloro-2-nitrophenyl)-3-methylpiperidin-2-yl]methanamine
CID 115471870
2-[1-(5-chloro-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 115471874
5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 83259903
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859
2-nitro-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 104719959

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine (CID 115471846) is 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine is O=[N+]([O-])c1ccc(Cl)cc1N1CCCCC1C1CCCN1.
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine?
The InChIKey is XATBBSYPRWBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-11-6-7-14(19(20)21)15(10-11)18-9-2-1-5-13(18)12-4-3-8-17-12/h6-7,10,12-13,17H,1-5,8-9H2.
What are the key properties of 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine?
1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine has a molecular weight of 309.80 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 115471846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).