[(2R,3R)-2-phenylpiperidin-3-yl]azanium

C11H17N2+ — CID 59904937

IUPAC[(2R,3R)-2-phenylpiperidin-3-yl]azanium
SMILES[NH3+][C@@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C11H16N2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8,12H2/p+1/t10-,11-/m1/s1
InChIKeyGFMAFYNUQDLPBP-GHMZBOCLSA-O
MW177.27 g/mol
LogP0.72
Rot. Bonds1

About [(2R,3R)-2-phenylpiperidin-3-yl]azanium

[(2R,3R)-2-phenylpiperidin-3-yl]azanium (PubChem CID 59904937) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is [(2R,3R)-2-phenylpiperidin-3-yl]azanium.

Molecular Properties

Compound Name[(2R,3R)-2-phenylpiperidin-3-yl]azanium
PubChem CID59904937
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Name[(2R,3R)-2-phenylpiperidin-3-yl]azanium
SMILES[NH3+][C@@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C11H16N2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8,12H2/p+1/t10-,11-/m1/s1
InChIKeyGFMAFYNUQDLPBP-GHMZBOCLSA-O
XLogP0.72
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylpiperidin-3-ol
CID 18782643
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355
(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
(2S,3R)-3-phenoxy-2-phenylpiperidine
CID 97356138
(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918
(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690
2-phenylpiperidine-3-carbaldehyde
CID 174613861
2,3-diphenylpiperazine;hydrochloride
CID 175072756
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
3-methyl-2-(4-phenylphenyl)piperidine
CID 65455510
oxalic acid;2-phenyl-3-phenylmethoxypiperidine
CID 19379364

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-phenylpiperidin-3-yl]azanium?
The IUPAC name of [(2R,3R)-2-phenylpiperidin-3-yl]azanium (CID 59904937) is [(2R,3R)-2-phenylpiperidin-3-yl]azanium.
What is the SMILES notation for [(2R,3R)-2-phenylpiperidin-3-yl]azanium?
The canonical SMILES for [(2R,3R)-2-phenylpiperidin-3-yl]azanium is [NH3+][C@@H]1CCCN[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,3R)-2-phenylpiperidin-3-yl]azanium?
The InChIKey is GFMAFYNUQDLPBP-GHMZBOCLSA-O. The full InChI is InChI=1S/C11H16N2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8,12H2/p+1/t10-,11-/m1/s1.
What are the key properties of [(2R,3R)-2-phenylpiperidin-3-yl]azanium?
[(2R,3R)-2-phenylpiperidin-3-yl]azanium has a molecular weight of 177.27 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-phenylpiperidin-3-yl]azanium is sourced from PubChem (CID 59904937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).