1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine

C12H20FN3 — CID 139383870

IUPAC1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine
SMILESNC1=CC=CN(C2CCN(CCF)CC2)C1
InChIInChI=1S/C12H20FN3/c13-5-9-15-7-3-12(4-8-15)16-6-1-2-11(14)10-16/h1-2,6,12H,3-5,7-10,14H2
InChIKeyKGSMQVRUFZCBCX-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.09
Rot. Bonds3

About 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine

1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine (PubChem CID 139383870) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine
PubChem CID139383870
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine
SMILESNC1=CC=CN(C2CCN(CCF)CC2)C1
InChIInChI=1S/C12H20FN3/c13-5-9-15-7-3-12(4-8-15)16-6-1-2-11(14)10-16/h1-2,6,12H,3-5,7-10,14H2
InChIKeyKGSMQVRUFZCBCX-UHFFFAOYSA-N
XLogP1.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine?
The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine (CID 139383870) is 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine?
The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine is NC1=CC=CN(C2CCN(CCF)CC2)C1.
What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine?
The InChIKey is KGSMQVRUFZCBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c13-5-9-15-7-3-12(4-8-15)16-6-1-2-11(14)10-16/h1-2,6,12H,3-5,7-10,14H2.
What are the key properties of 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine?
1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine has a molecular weight of 225.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine is sourced from PubChem (CID 139383870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).