(3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol

C8H16FNO — CID 135264751

IUPAC(3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol
SMILESCC[C@H]1NC[C@@H](O)C[C@H]1CF
InChIInChI=1S/C8H16FNO/c1-2-8-6(4-9)3-7(11)5-10-8/h6-8,10-11H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChIKeyWFLYZLKIVCYABC-BIIVOSGPSA-N
MW161.22 g/mol
LogP0.70
Rot. Bonds2

About (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol

(3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol (PubChem CID 135264751) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol
PubChem CID135264751
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol
SMILESCC[C@H]1NC[C@@H](O)C[C@H]1CF
InChIInChI=1S/C8H16FNO/c1-2-8-6(4-9)3-7(11)5-10-8/h6-8,10-11H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChIKeyWFLYZLKIVCYABC-BIIVOSGPSA-N
XLogP0.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol?
The IUPAC name of (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol (CID 135264751) is (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol.
What is the SMILES notation for (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol?
The canonical SMILES for (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol is CC[C@H]1NC[C@@H](O)C[C@H]1CF.
What is the InChIKey of (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol?
The InChIKey is WFLYZLKIVCYABC-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-8-6(4-9)3-7(11)5-10-8/h6-8,10-11H,2-5H2,1H3/t6-,7-,8+/m0/s1.
What are the key properties of (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol?
(3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6R)-6-ethyl-5-(fluoromethyl)piperidin-3-ol is sourced from PubChem (CID 135264751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).