2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine

C11H22FN — CID 178125240

IUPAC2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine
SMILESCCC1C(C(C)C)C(F)CCN1C
InChIInChI=1S/C11H22FN/c1-5-10-11(8(2)3)9(12)6-7-13(10)4/h8-11H,5-7H2,1-4H3
InChIKeyXZDPTFJYFDFWDP-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds2

About 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine

2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine (PubChem CID 178125240) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine
PubChem CID178125240
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine
SMILESCCC1C(C(C)C)C(F)CCN1C
InChIInChI=1S/C11H22FN/c1-5-10-11(8(2)3)9(12)6-7-13(10)4/h8-11H,5-7H2,1-4H3
InChIKeyXZDPTFJYFDFWDP-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine?
The IUPAC name of 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine (CID 178125240) is 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine.
What is the SMILES notation for 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine?
The canonical SMILES for 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine is CCC1C(C(C)C)C(F)CCN1C.
What is the InChIKey of 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine?
The InChIKey is XZDPTFJYFDFWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-5-10-11(8(2)3)9(12)6-7-13(10)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine?
2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine is sourced from PubChem (CID 178125240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).