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1-(2-fluoroethyl)-5-methylpiperidin-3-ol

C8H16FNO — CID 130802757

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(2-fluoroethyl)-5-methylpiperidin-3-ol
SMILESCC1CC(O)CN(CCF)C1
InChIInChI=1S/C8H16FNO/c1-7-4-8(11)6-10(5-7)3-2-9/h7-8,11H,2-6H2,1H3
InChIKeyQTUGJXAGLPVTSH-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds2

About 1-(2-fluoroethyl)-5-methylpiperidin-3-ol

1-(2-fluoroethyl)-5-methylpiperidin-3-ol (PubChem CID 130802757) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-methylpiperidin-3-ol
PubChem CID130802757
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-(2-fluoroethyl)-5-methylpiperidin-3-ol
SMILESCC1CC(O)CN(CCF)C1
InChIInChI=1S/C8H16FNO/c1-7-4-8(11)6-10(5-7)3-2-9/h7-8,11H,2-6H2,1H3
InChIKeyQTUGJXAGLPVTSH-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-methylpiperidin-3-ol?
The IUPAC name of 1-(2-fluoroethyl)-5-methylpiperidin-3-ol (CID 130802757) is 1-(2-fluoroethyl)-5-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-fluoroethyl)-5-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-fluoroethyl)-5-methylpiperidin-3-ol is CC1CC(O)CN(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-5-methylpiperidin-3-ol?
The InChIKey is QTUGJXAGLPVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7-4-8(11)6-10(5-7)3-2-9/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-5-methylpiperidin-3-ol?
1-(2-fluoroethyl)-5-methylpiperidin-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-methylpiperidin-3-ol is sourced from PubChem (CID 130802757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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