5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride

C12H18ClFN2O — CID 70677415

IUPAC5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-9-2-3-10(6-14-9)8-16-12-5-4-11(13)7-15-12;/h4-5,7,9-10,14H,2-3,6,8H2,1H3;1H/t9-,10-;/m1./s1
InChIKeyNTYVLGRDXMGVRM-DHTOPLTISA-N
MW260.74 g/mol
LogP2.41
Rot. Bonds3

About 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride

5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride (PubChem CID 70677415) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride
PubChem CID70677415
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-9-2-3-10(6-14-9)8-16-12-5-4-11(13)7-15-12;/h4-5,7,9-10,14H,2-3,6,8H2,1H3;1H/t9-,10-;/m1./s1
InChIKeyNTYVLGRDXMGVRM-DHTOPLTISA-N
XLogP2.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride 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 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride?
The IUPAC name of 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride (CID 70677415) is 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride.
What is the SMILES notation for 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride?
The canonical SMILES for 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride is C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1.Cl.
What is the InChIKey of 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride?
The InChIKey is NTYVLGRDXMGVRM-DHTOPLTISA-N. The full InChI is InChI=1S/C12H17FN2O.ClH/c1-9-2-3-10(6-14-9)8-16-12-5-4-11(13)7-15-12;/h4-5,7,9-10,14H,2-3,6,8H2,1H3;1H/t9-,10-;/m1./s1.
What are the key properties of 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride?
5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride is sourced from PubChem (CID 70677415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).