[(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol

C13H18N2O3 — CID 30842695

IUPAC[(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1CO
InChIInChI=1S/C13H18N2O3/c16-10-12-6-3-4-8-14(12)9-11-5-1-2-7-13(11)15(17)18/h1-2,5,7,12,16H,3-4,6,8-10H2/t12-/m1/s1
InChIKeyRAIQBNQSSUCADQ-GFCCVEGCSA-N
MW250.30 g/mol
LogP1.94
Rot. Bonds4

About [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol

[(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol (PubChem CID 30842695) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol
PubChem CID30842695
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol
SMILESO=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1CO
InChIInChI=1S/C13H18N2O3/c16-10-12-6-3-4-8-14(12)9-11-5-1-2-7-13(11)15(17)18/h1-2,5,7,12,16H,3-4,6,8-10H2/t12-/m1/s1
InChIKeyRAIQBNQSSUCADQ-GFCCVEGCSA-N
XLogP1.94
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol (CID 30842695) is [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol is O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is RAIQBNQSSUCADQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-12-6-3-4-8-14(12)9-11-5-1-2-7-13(11)15(17)18/h1-2,5,7,12,16H,3-4,6,8-10H2/t12-/m1/s1.
What are the key properties of [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol?
[(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 250.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-nitrophenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 30842695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).