2-ethyl-3-fluoro-5-methoxypiperidine

C8H16FNO — CID 167076426

IUPAC2-ethyl-3-fluoro-5-methoxypiperidine
SMILESCCC1NCC(OC)CC1F
InChIInChI=1S/C8H16FNO/c1-3-8-7(9)4-6(11-2)5-10-8/h6-8,10H,3-5H2,1-2H3
InChIKeyZCOMWNZJBUSAMU-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds2

About 2-ethyl-3-fluoro-5-methoxypiperidine

2-ethyl-3-fluoro-5-methoxypiperidine (PubChem CID 167076426) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-5-methoxypiperidine.

Molecular Properties

Compound Name2-ethyl-3-fluoro-5-methoxypiperidine
PubChem CID167076426
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-ethyl-3-fluoro-5-methoxypiperidine
SMILESCCC1NCC(OC)CC1F
InChIInChI=1S/C8H16FNO/c1-3-8-7(9)4-6(11-2)5-10-8/h6-8,10H,3-5H2,1-2H3
InChIKeyZCOMWNZJBUSAMU-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-5-methoxypiperidine?
The IUPAC name of 2-ethyl-3-fluoro-5-methoxypiperidine (CID 167076426) is 2-ethyl-3-fluoro-5-methoxypiperidine.
What is the SMILES notation for 2-ethyl-3-fluoro-5-methoxypiperidine?
The canonical SMILES for 2-ethyl-3-fluoro-5-methoxypiperidine is CCC1NCC(OC)CC1F.
What is the InChIKey of 2-ethyl-3-fluoro-5-methoxypiperidine?
The InChIKey is ZCOMWNZJBUSAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-8-7(9)4-6(11-2)5-10-8/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-fluoro-5-methoxypiperidine?
2-ethyl-3-fluoro-5-methoxypiperidine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-5-methoxypiperidine is sourced from PubChem (CID 167076426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).