N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine

C14H19F2N3O2 — CID 43725113

IUPACN-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc([N+](=O)[O-])c(F)cc2F)CC1
InChIInChI=1S/C14H19F2N3O2/c1-2-5-18-6-3-10(4-7-18)17-13-9-14(19(20)21)12(16)8-11(13)15/h8-10,17H,2-7H2,1H3
InChIKeyUZMAGODQDRAUIY-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.16
Rot. Bonds5

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

N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine (PubChem CID 43725113) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine
PubChem CID43725113
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC NameN-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc([N+](=O)[O-])c(F)cc2F)CC1
InChIInChI=1S/C14H19F2N3O2/c1-2-5-18-6-3-10(4-7-18)17-13-9-14(19(20)21)12(16)8-11(13)15/h8-10,17H,2-7H2,1H3
InChIKeyUZMAGODQDRAUIY-UHFFFAOYSA-N
XLogP3.16
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.16
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-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 62375924
N-(4,5-dimethyl-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 62098256
N-(4-bromo-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 43225000
3-nitro-4-[(1-propylpiperidin-4-yl)amino]benzaldehyde
CID 78911630
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(4-chloro-5-fluoro-2-nitrophenyl)-1-ethylpiperidin-4-amine
CID 66077000
N-(2-methyl-3-nitrophenyl)-1-propylazepan-4-amine
CID 65074617
1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
CID 43719257
2-nitro-5-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 115500253
1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
CID 62816568
2,4-difluoro-5-nitro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561398
N-(3,3-dimethylcyclopentyl)-2,4-difluoro-5-nitroaniline
CID 80705925

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine (CID 43725113) is N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2cc([N+](=O)[O-])c(F)cc2F)CC1.
What is the InChIKey of N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine?
The InChIKey is UZMAGODQDRAUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-2-5-18-6-3-10(4-7-18)17-13-9-14(19(20)21)12(16)8-11(13)15/h8-10,17H,2-7H2,1H3.
What are the key properties of N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine?
N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine has a molecular weight of 299.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 43725113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).