(3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol

C8H16FNO — CID 139513630

IUPAC(3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol
SMILESC[C@@H]1[C@@H](CCF)CNC[C@H]1O
InChIInChI=1S/C8H16FNO/c1-6-7(2-3-9)4-10-5-8(6)11/h6-8,10-11H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyMHZDWRCZCLTUKF-GJMOJQLCSA-N
MW161.22 g/mol
LogP0.56
Rot. Bonds2

About (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol

(3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol (PubChem CID 139513630) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol
PubChem CID139513630
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol
SMILESC[C@@H]1[C@@H](CCF)CNC[C@H]1O
InChIInChI=1S/C8H16FNO/c1-6-7(2-3-9)4-10-5-8(6)11/h6-8,10-11H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyMHZDWRCZCLTUKF-GJMOJQLCSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol?
The IUPAC name of (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol (CID 139513630) is (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol?
The canonical SMILES for (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol is C[C@@H]1[C@@H](CCF)CNC[C@H]1O.
What is the InChIKey of (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol?
The InChIKey is MHZDWRCZCLTUKF-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6-7(2-3-9)4-10-5-8(6)11/h6-8,10-11H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol?
(3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 139513630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).