[1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine

C14H20FN3O2 — CID 115980981

IUPAC[1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1Cc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20FN3O2/c1-10-2-3-11(7-16)8-17(10)9-12-4-13(15)6-14(5-12)18(19)20/h4-6,10-11H,2-3,7-9,16H2,1H3
InChIKeyDSLFLACHQITXIT-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.29
Rot. Bonds4

About [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine

[1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine (PubChem CID 115980981) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
PubChem CID115980981
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name[1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1Cc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20FN3O2/c1-10-2-3-11(7-16)8-17(10)9-12-4-13(15)6-14(5-12)18(19)20/h4-6,10-11H,2-3,7-9,16H2,1H3
InChIKeyDSLFLACHQITXIT-UHFFFAOYSA-N
XLogP2.29
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.29
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-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine 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-[(3-fluoro-5-nitrophenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072256
1-[1-[(3-fluoro-5-nitrophenyl)methyl]piperidin-2-yl]ethanamine
CID 115980968
[1-[(4-bromo-2-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 114382210
[1-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidin-3-yl]methanol
CID 112649123
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344
[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 104798108
1-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 112648136
1-[1-[(3-fluoro-5-nitrophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 115980961
[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
CID 54989394
[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 62126736
[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 66480996
4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106792785

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine (CID 115980981) is [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine is CC1CCC(CN)CN1Cc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The InChIKey is DSLFLACHQITXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10-2-3-11(7-16)8-17(10)9-12-4-13(15)6-14(5-12)18(19)20/h4-6,10-11H,2-3,7-9,16H2,1H3.
What are the key properties of [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
[1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine has a molecular weight of 281.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 115980981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).