N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine

C14H22FN3 — CID 112646134

IUPACN-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(N)cc(F)c2)C1
InChIInChI=1S/C14H22FN3/c1-17-5-3-4-14(10-17)18(2)9-11-6-12(15)8-13(16)7-11/h6-8,14H,3-5,9-10,16H2,1-2H3
InChIKeyGIJCCAPUFOLSQM-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.93
Rot. Bonds3

About N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine

N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 112646134) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID112646134
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(N)cc(F)c2)C1
InChIInChI=1S/C14H22FN3/c1-17-5-3-4-14(10-17)18(2)9-11-6-12(15)8-13(16)7-11/h6-8,14H,3-5,9-10,16H2,1-2H3
InChIKeyGIJCCAPUFOLSQM-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine (CID 112646134) is N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2cc(N)cc(F)c2)C1.
What is the InChIKey of N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is GIJCCAPUFOLSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17-5-3-4-14(10-17)18(2)9-11-6-12(15)8-13(16)7-11/h6-8,14H,3-5,9-10,16H2,1-2H3.
What are the key properties of N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-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-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 112646134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).