1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine

C13H18FN3O2 — CID 43719257

IUPAC1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
SMILESCCN1CCC(Nc2ccc(F)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H18FN3O2/c1-2-16-7-5-10(6-8-16)15-11-3-4-12(14)13(9-11)17(18)19/h3-4,9-10,15H,2,5-8H2,1H3
InChIKeyAMCFTENSOZPZHD-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.63
Rot. Bonds4

About 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine

1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine (PubChem CID 43719257) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
PubChem CID43719257
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
SMILESCCN1CCC(Nc2ccc(F)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H18FN3O2/c1-2-16-7-5-10(6-8-16)15-11-3-4-12(14)13(9-11)17(18)19/h3-4,9-10,15H,2,5-8H2,1H3
InChIKeyAMCFTENSOZPZHD-UHFFFAOYSA-N
XLogP2.63
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.63
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'}

Analyze 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 91028767
N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43719255
4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide
CID 43785719
N-(3-bromo-4-nitrophenyl)-1-ethylazepan-4-amine
CID 82864140
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothian-4-amine
CID 43719371
N-(4-fluoro-3-nitrophenyl)thian-4-amine
CID 43719372
5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile
CID 62315553
N-(4-fluoro-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086819
N-(4-chloro-5-fluoro-2-nitrophenyl)-1-ethylpiperidin-4-amine
CID 66077000
5-[(1-ethylazepan-4-yl)amino]-2-fluorobenzoic acid
CID 65074426
tert-butyl 4-(4-fluoro-3-nitroanilino)azepane-1-carboxylate
CID 113361471
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothiolan-3-amine
CID 60708678

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine (CID 43719257) is 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine is CCN1CCC(Nc2ccc(F)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine?
The InChIKey is AMCFTENSOZPZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-16-7-5-10(6-8-16)15-11-3-4-12(14)13(9-11)17(18)19/h3-4,9-10,15H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine?
1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine has a molecular weight of 267.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 43719257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).