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

C12H21FN4 — CID 167485631

IUPAC4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCN(CCF)CC2)C1
InChIInChI=1S/C12H21FN4/c13-4-8-17-6-1-10(2-7-17)12(15)3-5-16-11(14)9-12/h3,5,10H,1-2,4,6-9,15H2,(H2,14,16)
InChIKeyAXVQPYRVWQVTTH-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.64
Rot. Bonds3

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

4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine (PubChem CID 167485631) has the molecular formula C12H21FN4 and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine
PubChem CID167485631
Molecular FormulaC12H21FN4
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC Name4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCN(CCF)CC2)C1
InChIInChI=1S/C12H21FN4/c13-4-8-17-6-1-10(2-7-17)12(15)3-5-16-11(14)9-12/h3,5,10H,1-2,4,6-9,15H2,(H2,14,16)
InChIKeyAXVQPYRVWQVTTH-UHFFFAOYSA-N
XLogP0.64
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine?
The IUPAC name of 4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine (CID 167485631) is 4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine is NC1=NC=CC(N)(C2CCN(CCF)CC2)C1.
What is the InChIKey of 4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine?
The InChIKey is AXVQPYRVWQVTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4/c13-4-8-17-6-1-10(2-7-17)12(15)3-5-16-11(14)9-12/h3,5,10H,1-2,4,6-9,15H2,(H2,14,16).
What are the key properties of 4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine?
4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine has a molecular weight of 240.33 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine is sourced from PubChem (CID 167485631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).