(2R)-5-nitro-2-phenylpiperidine

C11H14N2O2 — CID 173489859

IUPAC(2R)-5-nitro-2-phenylpiperidine
SMILESO=[N+]([O-])C1CC[C@H](c2ccccc2)NC1
InChIInChI=1S/C11H14N2O2/c14-13(15)10-6-7-11(12-8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10?,11-/m1/s1
InChIKeyMGHPPPRYRWJKIR-RRKGBCIJSA-N
MW206.25 g/mol
LogP1.76
Rot. Bonds2

About (2R)-5-nitro-2-phenylpiperidine

(2R)-5-nitro-2-phenylpiperidine (PubChem CID 173489859) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (2R)-5-nitro-2-phenylpiperidine.

Molecular Properties

Compound Name(2R)-5-nitro-2-phenylpiperidine
PubChem CID173489859
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(2R)-5-nitro-2-phenylpiperidine
SMILESO=[N+]([O-])C1CC[C@H](c2ccccc2)NC1
InChIInChI=1S/C11H14N2O2/c14-13(15)10-6-7-11(12-8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10?,11-/m1/s1
InChIKeyMGHPPPRYRWJKIR-RRKGBCIJSA-N
XLogP1.76
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.76
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

1-Methyl-3-phenylpiperazine
CID 2760009
N-(alpha-(Nitroethyl)benzyl) ethylenediamine
CID 85767
1-Benzyl-2-methylpiperazine
CID 10442525
2,3-Diphenylpiperazine
CID 225778
1-Benzyl-3-methylpiperazine
CID 2727520
1-(1-Phenylethyl)piperazine
CID 2737134
N-benzylpiperidin-3-amine
CID 21942046
2-Phenylpiperazine
CID 250673
(3R)-1-benzyl-3-methylpiperazine
CID 6923226
rac-(2R,6R)-2-methyl-6-phenylpiperidine
CID 10773596
1-Benzylpiperidin-3-amine
CID 421694
2,6-Bis(4-ethylphenyl)-4,4-dimethyl-3,5-dinitropiperidine
CID 3781402

Frequently Asked Questions

What is the IUPAC name of (2R)-5-nitro-2-phenylpiperidine?
The IUPAC name of (2R)-5-nitro-2-phenylpiperidine (CID 173489859) is (2R)-5-nitro-2-phenylpiperidine.
What is the SMILES notation for (2R)-5-nitro-2-phenylpiperidine?
The canonical SMILES for (2R)-5-nitro-2-phenylpiperidine is O=[N+]([O-])C1CC[C@H](c2ccccc2)NC1.
What is the InChIKey of (2R)-5-nitro-2-phenylpiperidine?
The InChIKey is MGHPPPRYRWJKIR-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-13(15)10-6-7-11(12-8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10?,11-/m1/s1.
What are the key properties of (2R)-5-nitro-2-phenylpiperidine?
(2R)-5-nitro-2-phenylpiperidine has a molecular weight of 206.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-nitro-2-phenylpiperidine is sourced from PubChem (CID 173489859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).