N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine

C14H20FN3O2 — CID 62375924

IUPACN-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20FN3O2/c1-2-7-17-8-5-12(6-9-17)16-13-10-11(15)3-4-14(13)18(19)20/h3-4,10,12,16H,2,5-9H2,1H3
InChIKeyLTYUKONDSKYNCU-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.02
Rot. Bonds5

About N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine

N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine (PubChem CID 62375924) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine
PubChem CID62375924
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20FN3O2/c1-2-7-17-8-5-12(6-9-17)16-13-10-11(15)3-4-14(13)18(19)20/h3-4,10,12,16H,2,5-9H2,1H3
InChIKeyLTYUKONDSKYNCU-UHFFFAOYSA-N
XLogP3.02
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.02
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

N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 43725113
N-(4,5-dimethyl-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 62098256
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
N-(4-bromo-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 43225000
3-nitro-4-[(1-propylpiperidin-4-yl)amino]benzaldehyde
CID 78911630
2-nitro-5-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 115500253
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
N-(3-ethylsulfanylcyclopentyl)-5-fluoro-2-nitroaniline
CID 107302339
N-(2-methyl-3-nitrophenyl)-1-propylazepan-4-amine
CID 65074617
N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine
CID 114817805
5-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 62376423
2-nitro-3-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 104717791

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine (CID 62375924) is N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine?
The InChIKey is LTYUKONDSKYNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-7-17-8-5-12(6-9-17)16-13-10-11(15)3-4-14(13)18(19)20/h3-4,10,12,16H,2,5-9H2,1H3.
What are the key properties of N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine?
N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine has a molecular weight of 281.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 62375924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).