1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine

C14H20FN3O2 — CID 62689473

IUPAC1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20FN3O2/c1-16(2)10-11-6-8-17(9-7-11)13-5-3-4-12(15)14(13)18(19)20/h3-5,11H,6-10H2,1-2H3
InChIKeyPWDPUISUONMODR-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.51
Rot. Bonds4

About 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 62689473) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID62689473
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20FN3O2/c1-16(2)10-11-6-8-17(9-7-11)13-5-3-4-12(15)14(13)18(19)20/h3-5,11H,6-10H2,1-2H3
InChIKeyPWDPUISUONMODR-UHFFFAOYSA-N
XLogP2.51
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
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-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine 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-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80902402
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625
1-(3-fluoro-2-nitrophenyl)-4-(1-methylpiperidin-3-yl)piperazine
CID 133315610
4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
CID 133278337
4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine
CID 63549434
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 62689125
[1-(3-fluoro-2-nitrophenyl)-4-methylpiperidin-3-yl]methanamine
CID 114961683
1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine
CID 133345786
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871
3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-nitroaniline
CID 55172215

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 62689473) is 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1.
What is the InChIKey of 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is PWDPUISUONMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-16(2)10-11-6-8-17(9-7-11)13-5-3-4-12(15)14(13)18(19)20/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 281.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62689473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).