4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine

C11H19FN4 — CID 167485618

IUPAC4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(N2CCC(CF)CC2)C1
InChIInChI=1S/C11H19FN4/c12-8-9-1-5-16(6-2-9)11(14)3-4-15-10(13)7-11/h3-4,9H,1-2,5-8,14H2,(H2,13,15)
InChIKeyUFBAFGYHXKUUHR-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.60
Rot. Bonds2

About 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine

4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine (PubChem CID 167485618) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine
PubChem CID167485618
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(N2CCC(CF)CC2)C1
InChIInChI=1S/C11H19FN4/c12-8-9-1-5-16(6-2-9)11(14)3-4-15-10(13)7-11/h3-4,9H,1-2,5-8,14H2,(H2,13,15)
InChIKeyUFBAFGYHXKUUHR-UHFFFAOYSA-N
XLogP0.60
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine?
The IUPAC name of 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine (CID 167485618) is 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine is NC1=NC=CC(N)(N2CCC(CF)CC2)C1.
What is the InChIKey of 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine?
The InChIKey is UFBAFGYHXKUUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c12-8-9-1-5-16(6-2-9)11(14)3-4-15-10(13)7-11/h3-4,9H,1-2,5-8,14H2,(H2,13,15).
What are the key properties of 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine?
4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine has a molecular weight of 226.30 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(fluoromethyl)piperidin-1-yl]-3H-pyridine-2,4-diamine is sourced from PubChem (CID 167485618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).