N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine

C17H18FN3O2 — CID 133330809

IUPACN-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine
SMILESO=[N+]([O-])c1ccccc1N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O2/c18-14-5-1-2-6-15(14)19-13-9-11-20(12-10-13)16-7-3-4-8-17(16)21(22)23/h1-8,13,19H,9-12H2
InChIKeyDOPLCHONKWDVKI-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.81
Rot. Bonds4

About N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine

N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine (PubChem CID 133330809) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine
PubChem CID133330809
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine
SMILESO=[N+]([O-])c1ccccc1N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O2/c18-14-5-1-2-6-15(14)19-13-9-11-20(12-10-13)16-7-3-4-8-17(16)21(22)23/h1-8,13,19H,9-12H2
InChIKeyDOPLCHONKWDVKI-UHFFFAOYSA-N
XLogP3.81
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.81
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

methyl 2-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-5-nitrobenzoate
CID 133394504
N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide
CID 26031512
N-[1-(2-nitrophenyl)piperidin-4-yl]ethanesulfonamide
CID 78862241
4-chloro-5-[4-(2-fluoroanilino)piperidin-1-yl]-2-(4-nitrophenyl)pyridazin-3-one
CID 133330827
[4-(cyclopropylamino)-3-nitrophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 26590612
1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358381
5-chloro-2-[4-(2-fluoroanilino)piperidin-1-yl]benzonitrile
CID 133330842
N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222290
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55722368
2-[4-(2-fluoroanilino)piperidin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133322767
1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine
CID 133368865

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine (CID 133330809) is N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine is O=[N+]([O-])c1ccccc1N1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine?
The InChIKey is DOPLCHONKWDVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-5-1-2-6-15(14)19-13-9-11-20(12-10-13)16-7-3-4-8-17(16)21(22)23/h1-8,13,19H,9-12H2.
What are the key properties of N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine?
N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine has a molecular weight of 315.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 133330809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).