4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine

C12H18FN3 — CID 105480872

IUPAC4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine
SMILESNCC1(Nc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C12H18FN3/c13-10-1-3-11(4-2-10)16-12(9-14)5-7-15-8-6-12/h1-4,15-16H,5-9,14H2
InChIKeyAIFOVWLZSXUJGN-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.32
Rot. Bonds3

About 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine

4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine (PubChem CID 105480872) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine
PubChem CID105480872
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine
SMILESNCC1(Nc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C12H18FN3/c13-10-1-3-11(4-2-10)16-12(9-14)5-7-15-8-6-12/h1-4,15-16H,5-9,14H2
InChIKeyAIFOVWLZSXUJGN-UHFFFAOYSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine (CID 105480872) is 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine is NCC1(Nc2ccc(F)cc2)CCNCC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine?
The InChIKey is AIFOVWLZSXUJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c13-10-1-3-11(4-2-10)16-12(9-14)5-7-15-8-6-12/h1-4,15-16H,5-9,14H2.
What are the key properties of 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine?
4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine has a molecular weight of 223.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 105480872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).