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

C12H20FN3 — CID 139373459

IUPAC1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine
SMILESNC1=CC=CN(C2CCCN(CCF)C2)C1
InChIInChI=1S/C12H20FN3/c13-5-8-15-6-2-4-12(10-15)16-7-1-3-11(14)9-16/h1,3,7,12H,2,4-6,8-10,14H2
InChIKeyVTGIMDKHCNNZAU-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.09
Rot. Bonds3

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

1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine (PubChem CID 139373459) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine
PubChem CID139373459
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine
SMILESNC1=CC=CN(C2CCCN(CCF)C2)C1
InChIInChI=1S/C12H20FN3/c13-5-8-15-6-2-4-12(10-15)16-7-1-3-11(14)9-16/h1,3,7,12H,2,4-6,8-10,14H2
InChIKeyVTGIMDKHCNNZAU-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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Related Compounds

1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 137449696
1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 139383769
1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine
CID 139383870
5-fluoro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
CID 139390472
(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
CID 143599145
(1Z,3E)-3-fluoro-2-piperidin-1-ylhexa-1,3,5-trien-1-amine
CID 144287729
N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
CID 145284766
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
4-(5-Fluoro-1,2-dihydropyridin-4-yl)-1,2-dimethylpiperazine
CID 174194419
3-fluoro-1-piperidin-4-yl-2H-pyridine
CID 174866402
5-fluoro-1-piperidin-4-yl-2H-pyridine
CID 174866407
1-(4,4-difluorocyclohexyl)-2H-pyridin-5-amine
CID 176266797

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine?
The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine (CID 139373459) is 1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine?
The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine is NC1=CC=CN(C2CCCN(CCF)C2)C1.
What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine?
The InChIKey is VTGIMDKHCNNZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c13-5-8-15-6-2-4-12(10-15)16-7-1-3-11(14)9-16/h1,3,7,12H,2,4-6,8-10,14H2.
What are the key properties of 1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine?
1-[1-(2-fluoroethyl)piperidin-3-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-3-yl]-2H-pyridin-3-amine is sourced from PubChem (CID 139373459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).