1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine

C14H20FN3O2 — CID 107348352

IUPAC1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cccc([N+](=O)[O-])c2F)C1
InChIInChI=1S/C14H20FN3O2/c1-16(2)12-6-4-8-17(10-12)9-11-5-3-7-13(14(11)15)18(19)20/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyPHJFFWPVTGNURR-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.26
Rot. Bonds4

About 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine

1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 107348352) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID107348352
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cccc([N+](=O)[O-])c2F)C1
InChIInChI=1S/C14H20FN3O2/c1-16(2)12-6-4-8-17(10-12)9-11-5-3-7-13(14(11)15)18(19)20/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyPHJFFWPVTGNURR-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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'}

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Related Compounds

1-[(2-fluoro-3-nitrophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 107348349
1-[(2-fluoro-3-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 107348386
2-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-yl]ethanol
CID 107348429
(3S,4R)-1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidine-3,4-diol
CID 107350606
[1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 107350337
N-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 107348405
1-[(2-fluoro-3-nitrophenyl)methyl]-3-methylpiperidin-3-ol
CID 107348421
1-[(2-fluoro-3-nitrophenyl)methyl]piperidine-4-carboxamide
CID 107348066
2-[(3-methylpiperidin-1-yl)methyl]-6-nitroaniline
CID 107350692
2-[1-[(2-fluoro-3-nitrophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 107350281
2-cyclopropyl-N-methyl-N-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172904637
2-[(3-methylpiperidin-1-yl)methyl]-6-nitrobenzoic acid
CID 104825845

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine (CID 107348352) is 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(Cc2cccc([N+](=O)[O-])c2F)C1.
What is the InChIKey of 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is PHJFFWPVTGNURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-16(2)12-6-4-8-17(10-12)9-11-5-3-7-13(14(11)15)18(19)20/h3,5,7,12H,4,6,8-10H2,1-2H3.
What are the key properties of 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine?
1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 281.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 107348352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).