1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine

C14H22FN3 — CID 55159077

IUPAC1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H22FN3/c1-17(2)12-5-7-18(8-6-12)10-11-3-4-14(16)13(15)9-11/h3-4,9,12H,5-8,10,16H2,1-2H3
InChIKeyANYSIMRWRZOOOD-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.93
Rot. Bonds3

About 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine

1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 55159077) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID55159077
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H22FN3/c1-17(2)12-5-7-18(8-6-12)10-11-3-4-14(16)13(15)9-11/h3-4,9,12H,5-8,10,16H2,1-2H3
InChIKeyANYSIMRWRZOOOD-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline
CID 63188373
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-fluorobenzenecarbothioamide
CID 107879201
4-[(4,4-dimethylazepan-1-yl)methyl]-2-fluoroaniline
CID 65282779
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)methyl]aniline
CID 63188505
1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol
CID 106667782
2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline
CID 175034441
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
(4S)-1-[(3,5-difluoro-4-methoxyphenyl)methyl]-N,N-dimethylazepan-4-amine
CID 99946945
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166063
1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 60969227

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine (CID 55159077) is 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(Cc2ccc(N)c(F)c2)CC1.
What is the InChIKey of 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is ANYSIMRWRZOOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17(2)12-5-7-18(8-6-12)10-11-3-4-14(16)13(15)9-11/h3-4,9,12H,5-8,10,16H2,1-2H3.
What are the key properties of 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine?
1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 251.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 55159077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).