N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine

C14H22FN3 — CID 43382206

IUPACN-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2cc(F)ccc2N)CC1
InChIInChI=1S/C14H22FN3/c1-17-7-5-13(6-8-17)18(2)10-11-9-12(15)3-4-14(11)16/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyUVWNKSZNUKVFSB-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.93
Rot. Bonds3

About N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 43382206) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID43382206
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2cc(F)ccc2N)CC1
InChIInChI=1S/C14H22FN3/c1-17-7-5-13(6-8-17)18(2)10-11-9-12(15)3-4-14(11)16/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyUVWNKSZNUKVFSB-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

N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 107701864
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82183840
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
5-fluoro-N'-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 76994502
5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768605
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
CID 63878885
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
3-fluoro-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzoic acid
CID 63073186

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 43382206) is N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2cc(F)ccc2N)CC1.
What is the InChIKey of N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is UVWNKSZNUKVFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17-7-5-13(6-8-17)18(2)10-11-9-12(15)3-4-14(11)16/h3-4,9,13H,5-8,10,16H2,1-2H3.
What are the key properties of N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(2-amino-5-fluorophenyl)methyl]-N,1-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 N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 43382206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).