1-(2-fluoroethyl)-4,4-dimethylpiperidine

C9H18FN — CID 122667612

IUPAC1-(2-fluoroethyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(CCF)CC1
InChIInChI=1S/C9H18FN/c1-9(2)3-6-11(7-4-9)8-5-10/h3-8H2,1-2H3
InChIKeyNYNJJCLKPDDTBJ-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds2

About 1-(2-fluoroethyl)-4,4-dimethylpiperidine

1-(2-fluoroethyl)-4,4-dimethylpiperidine (PubChem CID 122667612) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4,4-dimethylpiperidine
PubChem CID122667612
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(2-fluoroethyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(CCF)CC1
InChIInChI=1S/C9H18FN/c1-9(2)3-6-11(7-4-9)8-5-10/h3-8H2,1-2H3
InChIKeyNYNJJCLKPDDTBJ-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4,4-dimethylpiperidine?
The IUPAC name of 1-(2-fluoroethyl)-4,4-dimethylpiperidine (CID 122667612) is 1-(2-fluoroethyl)-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4,4-dimethylpiperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4,4-dimethylpiperidine is CC1(C)CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4,4-dimethylpiperidine?
The InChIKey is NYNJJCLKPDDTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(2)3-6-11(7-4-9)8-5-10/h3-8H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4,4-dimethylpiperidine?
1-(2-fluoroethyl)-4,4-dimethylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4,4-dimethylpiperidine is sourced from PubChem (CID 122667612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).