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

C12H16FN3O3 — CID 107260420

IUPAC1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
SMILESCOc1cc(N2CCC(N)CC2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O3/c1-19-12-7-10(9(13)6-11(12)16(17)18)15-4-2-8(14)3-5-15/h6-8H,2-5,14H2,1H3
InChIKeyBMDPUTHNIVYEET-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.67
Rot. Bonds3

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

1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine (PubChem CID 107260420) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
PubChem CID107260420
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
SMILESCOc1cc(N2CCC(N)CC2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O3/c1-19-12-7-10(9(13)6-11(12)16(17)18)15-4-2-8(14)3-5-15/h6-8H,2-5,14H2,1H3
InChIKeyBMDPUTHNIVYEET-UHFFFAOYSA-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-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
CID 107260557
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
[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-yl]methanamine
CID 107260440
4-(4-cyclopropyl-1,2,4-triazol-3-yl)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidine
CID 133448726
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
2-[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-2-yl]ethanamine
CID 107260476
3-(2-fluoro-5-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane
CID 118639741
4-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133474527
7-(2-fluoro-5-methoxy-4-nitrophenyl)-N,N-dimethyl-7-azaspiro[3.5]nonan-2-amine
CID 177085209
[1-(2-fluoro-5-methoxy-4-nitrophenyl)-6-methylpiperidin-3-yl]methanamine
CID 107260481

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine (CID 107260420) is 1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine is COc1cc(N2CCC(N)CC2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine?
The InChIKey is BMDPUTHNIVYEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-19-12-7-10(9(13)6-11(12)16(17)18)15-4-2-8(14)3-5-15/h6-8H,2-5,14H2,1H3.
What are the key properties of 1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine?
1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-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 1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 107260420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).