(2R)-2-(2-nitrophenyl)piperidine;hydrochloride

C11H15ClN2O2 — CID 171195300

IUPAC(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccccc1[C@H]1CCCCN1
InChIInChI=1S/C11H14N2O2.ClH/c14-13(15)11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-2,5,7,10,12H,3-4,6,8H2;1H/t10-;/m1./s1
InChIKeyXKGXDBKPDGQVBZ-HNCPQSOCSA-N
MW242.71 g/mol
LogP2.83
Rot. Bonds2

About (2R)-2-(2-nitrophenyl)piperidine;hydrochloride

(2R)-2-(2-nitrophenyl)piperidine;hydrochloride (PubChem CID 171195300) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (2R)-2-(2-nitrophenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
PubChem CID171195300
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccccc1[C@H]1CCCCN1
InChIInChI=1S/C11H14N2O2.ClH/c14-13(15)11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-2,5,7,10,12H,3-4,6,8H2;1H/t10-;/m1./s1
InChIKeyXKGXDBKPDGQVBZ-HNCPQSOCSA-N
XLogP2.83
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-2-(4-fluoro-2-nitrophenyl)piperidine;hydrochloride
CID 171195482
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
2-(2,4-dinitrophenyl)azepane
CID 57177004
2-(4-fluoro-2-nitrophenyl)azepane
CID 113417343
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941
3-(2-nitrophenyl)morpholine
CID 69296490
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213
(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
CID 66519018
(2S)-2-(4,5-dimethoxy-2-nitrophenyl)piperidine;hydrochloride
CID 171195180
4-bromo-2-nitro-6-[(2S)-piperidin-2-yl]phenol;hydrochloride
CID 171195223
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-nitrophenyl)piperidine;hydrochloride?
The IUPAC name of (2R)-2-(2-nitrophenyl)piperidine;hydrochloride (CID 171195300) is (2R)-2-(2-nitrophenyl)piperidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2-nitrophenyl)piperidine;hydrochloride?
The canonical SMILES for (2R)-2-(2-nitrophenyl)piperidine;hydrochloride is Cl.O=[N+]([O-])c1ccccc1[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(2-nitrophenyl)piperidine;hydrochloride?
The InChIKey is XKGXDBKPDGQVBZ-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c14-13(15)11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-2,5,7,10,12H,3-4,6,8H2;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-(2-nitrophenyl)piperidine;hydrochloride?
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-nitrophenyl)piperidine;hydrochloride is sourced from PubChem (CID 171195300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).