N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine

C13H20FN3 — CID 70652812

IUPACN-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccc(N)cc2F)CC1
InChIInChI=1S/C13H20FN3/c1-17-6-4-12(5-7-17)16-9-10-2-3-11(15)8-13(10)14/h2-3,8,12,16H,4-7,9,15H2,1H3
InChIKeyPVLVIZHMUOEXPC-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.59
Rot. Bonds3

About N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine

N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 70652812) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID70652812
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccc(N)cc2F)CC1
InChIInChI=1S/C13H20FN3/c1-17-6-4-12(5-7-17)16-9-10-2-3-11(15)8-13(10)14/h2-3,8,12,16H,4-7,9,15H2,1H3
InChIKeyPVLVIZHMUOEXPC-UHFFFAOYSA-N
XLogP1.59
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
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-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine (CID 70652812) is N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2ccc(N)cc2F)CC1.
What is the InChIKey of N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is PVLVIZHMUOEXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-17-6-4-12(5-7-17)16-9-10-2-3-11(15)8-13(10)14/h2-3,8,12,16H,4-7,9,15H2,1H3.
What are the key properties of N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 237.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 70652812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).