2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline

C13H19FN2 — CID 105479556

IUPAC2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(Cc2cccc(F)c2N)CC1
InChIInChI=1S/C13H19FN2/c1-16-7-5-10(6-8-16)9-11-3-2-4-12(14)13(11)15/h2-4,10H,5-9,15H2,1H3
InChIKeyFAZBBBLVDBTZAT-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.29
Rot. Bonds2

About 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline

2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 105479556) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID105479556
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(Cc2cccc(F)c2N)CC1
InChIInChI=1S/C13H19FN2/c1-16-7-5-10(6-8-16)9-11-3-2-4-12(14)13(11)15/h2-4,10H,5-9,15H2,1H3
InChIKeyFAZBBBLVDBTZAT-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-((S)-1-Propyl-piperidin-3-yl)-phenylamine
CID 10013665
4-[(4-Methylpiperidin-1-yl)methyl]aniline
CID 1084995
2-{2-[4-(3-Phenyl-propyl)-piperazin-1-yl]-ethyl}-phenylamine
CID 401854
1-(2-Isopropylphenyl)piperazine
CID 3608822
N-Propyl-N-(4-amino-phenylethyl)-3-(4-fluorophenyl)propylamine
CID 46212110
N-Propyl-N-(4-amino-benzyl)-3-(4-fluorophenyl)propylamine
CID 46212859
4-{4-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-but-1-ynyl}-phenylamine
CID 10806801
2-fluoro-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 44310169
Benzenemethanamine, 2-amino-N,N-diethyl-3-methyl-, monohydrochloride
CID 3044885
1-Methyl-4-(2'-aminophenyl)-1,2,3,6-tetrahydropyridine
CID 130045
3-Methyl-1-(2-piperidinophenyl)-1-butylamine, (S)-
CID 10514609
[2-(Piperidin-1-yl)phenyl]methanamine
CID 2776509

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline (CID 105479556) is 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline is CN1CCC(Cc2cccc(F)c2N)CC1.
What is the InChIKey of 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is FAZBBBLVDBTZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16-7-5-10(6-8-16)9-11-3-2-4-12(14)13(11)15/h2-4,10H,5-9,15H2,1H3.
What are the key properties of 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline?
2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 222.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 105479556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).