1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol

C8H16FNO2 — CID 131084208

IUPAC1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOCC1CCN(CCF)CC1O
InChIInChI=1S/C8H16FNO2/c9-2-4-10-3-1-7(6-11)8(12)5-10/h7-8,11-12H,1-6H2
InChIKeySGTPQUALNGDIIO-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.37
Rot. Bonds3

About 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol

1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 131084208) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID131084208
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOCC1CCN(CCF)CC1O
InChIInChI=1S/C8H16FNO2/c9-2-4-10-3-1-7(6-11)8(12)5-10/h7-8,11-12H,1-6H2
InChIKeySGTPQUALNGDIIO-UHFFFAOYSA-N
XLogP-0.37
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol
CID 131131773
4-(hydroxymethyl)-1-(2-methylpropyl)piperidin-3-ol
CID 130703735
4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol
CID 76695388
(3S,4R)-4-(hydroxymethyl)-1-(4-phenoxybutyl)piperidin-3-ol
CID 155510034
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol
CID 70949471
4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol
CID 18695916
(3S,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 134714356
(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol
CID 70949431
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
CID 166157415
1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol
CID 126987363

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol (CID 131084208) is 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol is OCC1CCN(CCF)CC1O.
What is the InChIKey of 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is SGTPQUALNGDIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c9-2-4-10-3-1-7(6-11)8(12)5-10/h7-8,11-12H,1-6H2.
What are the key properties of 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol?
1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 177.22 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 131084208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).