2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine

C11H20FN — CID 170016481

IUPAC2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CC(C)CCC1C(C)F
InChIInChI=1S/C11H20FN/c1-8(2)13-7-9(3)5-6-11(13)10(4)12/h9-11H,1,5-7H2,2-4H3
InChIKeyVMPGODYEAKSMKX-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds2

About 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine

2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine (PubChem CID 170016481) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
PubChem CID170016481
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CC(C)CCC1C(C)F
InChIInChI=1S/C11H20FN/c1-8(2)13-7-9(3)5-6-11(13)10(4)12/h9-11H,1,5-7H2,2-4H3
InChIKeyVMPGODYEAKSMKX-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine (CID 170016481) is 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CC(C)CCC1C(C)F.
What is the InChIKey of 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine?
The InChIKey is VMPGODYEAKSMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)13-7-9(3)5-6-11(13)10(4)12/h9-11H,1,5-7H2,2-4H3.
What are the key properties of 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine?
2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine has a molecular weight of 185.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 170016481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).