4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine

C13H20FN3 — CID 65379189

IUPAC4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(CN)(Nc2ccccc2F)CC1
InChIInChI=1S/C13H20FN3/c1-17-8-6-13(10-15,7-9-17)16-12-5-3-2-4-11(12)14/h2-5,16H,6-10,15H2,1H3
InChIKeyXKXGEZBZKCSGIT-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.66
Rot. Bonds3

About 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine

4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine (PubChem CID 65379189) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine
PubChem CID65379189
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(CN)(Nc2ccccc2F)CC1
InChIInChI=1S/C13H20FN3/c1-17-8-6-13(10-15,7-9-17)16-12-5-3-2-4-11(12)14/h2-5,16H,6-10,15H2,1H3
InChIKeyXKXGEZBZKCSGIT-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine (CID 65379189) is 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine is CN1CCC(CN)(Nc2ccccc2F)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine?
The InChIKey is XKXGEZBZKCSGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-17-8-6-13(10-15,7-9-17)16-12-5-3-2-4-11(12)14/h2-5,16H,6-10,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine?
4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine has a molecular weight of 237.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 65379189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).