N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine

C12H20FN3O — CID 126549529

IUPACN-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(CCF)Cc2cnco2)CC1
InChIInChI=1S/C12H20FN3O/c1-15-5-2-11(3-6-15)16(7-4-13)9-12-8-14-10-17-12/h8,10-11H,2-7,9H2,1H3
InChIKeyKUAOPPCPTOFYQJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.54
Rot. Bonds5

About N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine

N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine (PubChem CID 126549529) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine
PubChem CID126549529
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC NameN-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(CCF)Cc2cnco2)CC1
InChIInChI=1S/C12H20FN3O/c1-15-5-2-11(3-6-15)16(7-4-13)9-12-8-14-10-17-12/h8,10-11H,2-7,9H2,1H3
InChIKeyKUAOPPCPTOFYQJ-UHFFFAOYSA-N
XLogP1.54
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-Tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole
CID 58394835
5-[[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole
CID 58394912
5-[[(3S,4R)-4-tert-butyl-3-fluoropiperidin-1-yl]methyl]-1,3-oxazole
CID 58395327
5-[(4-Ethyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole
CID 68260825
5-[[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]methyl]-1,3-oxazole
CID 68261279
5-[(3-Fluoro-4-methylpiperidin-1-yl)methyl]-1,3-oxazole
CID 76775630
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)acetonitrile
CID 118297279
2-(4-Fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine
CID 118302997
1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 126549531
2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide
CID 140916817
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine;ethane
CID 144898643
N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155407868

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine (CID 126549529) is N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine is CN1CCC(N(CCF)Cc2cnco2)CC1.
What is the InChIKey of N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine?
The InChIKey is KUAOPPCPTOFYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-15-5-2-11(3-6-15)16(7-4-13)9-12-8-14-10-17-12/h8,10-11H,2-7,9H2,1H3.
What are the key properties of N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine?
N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine has a molecular weight of 241.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 126549529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).