1-[(2R)-2-nitro-1-phenylpropyl]piperidine

C14H20N2O2 — CID 134884394

IUPAC1-[(2R)-2-nitro-1-phenylpropyl]piperidine
SMILESC[C@H](C(c1ccccc1)N1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C14H20N2O2/c1-12(16(17)18)14(13-8-4-2-5-9-13)15-10-6-3-7-11-15/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyNCOVMQJSVYDAEF-PUODRLBUSA-N
MW248.33 g/mol
LogP2.88
Rot. Bonds4

About 1-[(2R)-2-nitro-1-phenylpropyl]piperidine

1-[(2R)-2-nitro-1-phenylpropyl]piperidine (PubChem CID 134884394) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(2R)-2-nitro-1-phenylpropyl]piperidine.

Molecular Properties

Compound Name1-[(2R)-2-nitro-1-phenylpropyl]piperidine
PubChem CID134884394
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(2R)-2-nitro-1-phenylpropyl]piperidine
SMILESC[C@H](C(c1ccccc1)N1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C14H20N2O2/c1-12(16(17)18)14(13-8-4-2-5-9-13)15-10-6-3-7-11-15/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyNCOVMQJSVYDAEF-PUODRLBUSA-N
XLogP2.88
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-nitro-1-phenylpropyl]piperidine?
The IUPAC name of 1-[(2R)-2-nitro-1-phenylpropyl]piperidine (CID 134884394) is 1-[(2R)-2-nitro-1-phenylpropyl]piperidine.
What is the SMILES notation for 1-[(2R)-2-nitro-1-phenylpropyl]piperidine?
The canonical SMILES for 1-[(2R)-2-nitro-1-phenylpropyl]piperidine is C[C@H](C(c1ccccc1)N1CCCCC1)[N+](=O)[O-].
What is the InChIKey of 1-[(2R)-2-nitro-1-phenylpropyl]piperidine?
The InChIKey is NCOVMQJSVYDAEF-PUODRLBUSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12(16(17)18)14(13-8-4-2-5-9-13)15-10-6-3-7-11-15/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/t12-,14?/m1/s1.
What are the key properties of 1-[(2R)-2-nitro-1-phenylpropyl]piperidine?
1-[(2R)-2-nitro-1-phenylpropyl]piperidine has a molecular weight of 248.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-nitro-1-phenylpropyl]piperidine is sourced from PubChem (CID 134884394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).