2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine

C15H23N3O2 — CID 97014461

IUPAC2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine
SMILESCC(C)CC[C@H]1CCCCN1c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O2/c1-12(2)8-9-13-6-3-4-11-17(13)15-14(18(19)20)7-5-10-16-15/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyWUDUIUINJVHILF-CYBMUJFWSA-N
MW277.37 g/mol
LogP3.78
Rot. Bonds5

About 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine

2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine (PubChem CID 97014461) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine.

Molecular Properties

Compound Name2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine
PubChem CID97014461
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine
SMILESCC(C)CC[C@H]1CCCCN1c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O2/c1-12(2)8-9-13-6-3-4-11-17(13)15-14(18(19)20)7-5-10-16-15/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyWUDUIUINJVHILF-CYBMUJFWSA-N
XLogP3.78
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
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-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61371100
tert-butyl N-[[(2S)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 97174207
2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine
CID 133377010
2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096
tert-butyl N-[[(2R)-1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]carbamate
CID 97174530
1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 95309066
ethyl 1-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62004802
(4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one
CID 97250167
1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 165448313
5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol
CID 66053376
N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136054
2-(3-ethoxypiperidin-1-yl)-3-nitropyridine
CID 133274264

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine?
The IUPAC name of 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine (CID 97014461) is 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine.
What is the SMILES notation for 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine?
The canonical SMILES for 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine is CC(C)CC[C@H]1CCCCN1c1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine?
The InChIKey is WUDUIUINJVHILF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(2)8-9-13-6-3-4-11-17(13)15-14(18(19)20)7-5-10-16-15/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine?
2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine has a molecular weight of 277.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine is sourced from PubChem (CID 97014461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).