1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine

C13H18FN3O2 — CID 63256055

IUPAC1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18FN3O2/c1-9(15)11-4-2-3-7-16(11)13-8-10(14)5-6-12(13)17(18)19/h5-6,8-9,11H,2-4,7,15H2,1H3
InChIKeyLGYLBIPGRMRCQB-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.44
Rot. Bonds3

About 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine

1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine (PubChem CID 63256055) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine
PubChem CID63256055
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18FN3O2/c1-9(15)11-4-2-3-7-16(11)13-8-10(14)5-6-12(13)17(18)19/h5-6,8-9,11H,2-4,7,15H2,1H3
InChIKeyLGYLBIPGRMRCQB-UHFFFAOYSA-N
XLogP2.44
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
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

3-[2-(1-aminoethyl)piperidin-1-yl]-4-nitrobenzamide
CID 82992157
1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine
CID 63255659
1-[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-2-yl]ethanamine
CID 107260457
1-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136189
1-[1-(5-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285361
(3aR,7aR)-1-(5-fluoro-2-nitrophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 124829406
3-[2-(1-aminoethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 104719974
2-[1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133333329
1-(4-bromo-2-nitrophenyl)-2-propan-2-ylpyrrolidine
CID 62897062
1-(5-fluoro-2-nitrophenyl)piperidin-4-one
CID 62377786
1-[1-[(3-fluoro-5-nitrophenyl)methyl]piperidin-2-yl]ethanamine
CID 115980968
1-[1-(2,3-dimethyl-6-nitrophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 119965506

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine (CID 63256055) is 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine is CC(N)C1CCCCN1c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine?
The InChIKey is LGYLBIPGRMRCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(15)11-4-2-3-7-16(11)13-8-10(14)5-6-12(13)17(18)19/h5-6,8-9,11H,2-4,7,15H2,1H3.
What are the key properties of 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine?
1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine has a molecular weight of 267.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 63256055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).