(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine

C12H16FN3O3 — CID 107260557

IUPAC(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
SMILESCOc1cc(N2CCC[C@@H](N)C2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O3/c1-19-12-6-10(9(13)5-11(12)16(17)18)15-4-2-3-8(14)7-15/h5-6,8H,2-4,7,14H2,1H3/t8-/m1/s1
InChIKeyNFJPLLBAZHVUDR-MRVPVSSYSA-N
MW269.28 g/mol
LogP1.67
Rot. Bonds3

About (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine

(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine (PubChem CID 107260557) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
PubChem CID107260557
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
SMILESCOc1cc(N2CCC[C@@H](N)C2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O3/c1-19-12-6-10(9(13)5-11(12)16(17)18)15-4-2-3-8(14)7-15/h5-6,8H,2-4,7,14H2,1H3/t8-/m1/s1
InChIKeyNFJPLLBAZHVUDR-MRVPVSSYSA-N
XLogP1.67
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-yl]methanamine
CID 107260440
1-(4,5-dimethoxy-2-nitrophenyl)piperidin-3-amine
CID 83007937
1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
CID 107260420
1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-methylpiperidin-4-amine
CID 107260510
1-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 107260518
(3S)-1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-pyrazol-1-ylpiperidine
CID 97332344
methyl 5-(3-aminopiperidin-1-yl)-2-fluoro-4-nitrobenzoate
CID 104699761
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
4-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133474527
1-[1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 107260531
1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 133450947
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-3-yl]azepane
CID 133454425

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine (CID 107260557) is (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine is COc1cc(N2CCC[C@@H](N)C2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine?
The InChIKey is NFJPLLBAZHVUDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-19-12-6-10(9(13)5-11(12)16(17)18)15-4-2-3-8(14)7-15/h5-6,8H,2-4,7,14H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine?
(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine has a molecular weight of 269.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine is sourced from PubChem (CID 107260557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).