[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol

C12H16N2O3 — CID 33291102

IUPAC[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
SMILESO=[N+]([O-])c1ccccc1N1CCC[C@@H](CO)C1
InChIInChI=1S/C12H16N2O3/c15-9-10-4-3-7-13(8-10)11-5-1-2-6-12(11)14(16)17/h1-2,5-6,10,15H,3-4,7-9H2/t10-/m1/s1
InChIKeyRIPINQGRSCBALY-SNVBAGLBSA-N
MW236.27 g/mol
LogP1.80
Rot. Bonds3

About [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol

[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol (PubChem CID 33291102) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
PubChem CID33291102
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
SMILESO=[N+]([O-])c1ccccc1N1CCC[C@@H](CO)C1
InChIInChI=1S/C12H16N2O3/c15-9-10-4-3-7-13(8-10)11-5-1-2-6-12(11)14(16)17/h1-2,5-6,10,15H,3-4,7-9H2/t10-/m1/s1
InChIKeyRIPINQGRSCBALY-SNVBAGLBSA-N
XLogP1.80
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.80
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

2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355894
[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 9311225
2-[1-(2-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 63077968
[(3R)-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidin-3-yl]methanol
CID 9311200
[(3S)-1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-3-yl]methanol
CID 9311191
N,N-diethyl-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzenesulfonamide
CID 9311198
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-3-yl]methanol
CID 116739630
(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 7123107
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 9311264
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol (CID 33291102) is [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol is O=[N+]([O-])c1ccccc1N1CCC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol?
The InChIKey is RIPINQGRSCBALY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-9-10-4-3-7-13(8-10)11-5-1-2-6-12(11)14(16)17/h1-2,5-6,10,15H,3-4,7-9H2/t10-/m1/s1.
What are the key properties of [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol?
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol has a molecular weight of 236.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 33291102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).