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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Related Compounds

(1R,2S)-1,2-diphenyl-2-piperidin-1-ylethanol
CID 23251237
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
CID 10637492
1-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923
(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 15065412
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
methyl 2-nitro-4-phenyl-4-piperidin-1-ylbutanoate
CID 102395785
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
4-phenyl-3-piperidin-1-ylpentanoic acid
CID 64526249
3-(azepan-1-yl)-2-hydroxy-3-(3-nitrophenyl)-1-phenylpropan-1-one
CID 171979648
1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
CID 10657531
2-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 61018070

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).