5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine

C19H23FN2O — CID 166447289

IUPAC5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine
SMILESCOc1ccc(C[C@@H]2CN(C)CC[C@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C19H23FN2O/c1-22-10-9-18(15-4-6-17(20)7-5-15)16(13-22)11-14-3-8-19(23-2)21-12-14/h3-8,12,16,18H,9-11,13H2,1-2H3/t16-,18+/m1/s1
InChIKeyFEEHJVRNHDHGFA-AEFFLSMTSA-N
MW314.40 g/mol
LogP3.51
Rot. Bonds4

About 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine

5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine (PubChem CID 166447289) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine
PubChem CID166447289
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine
SMILESCOc1ccc(C[C@@H]2CN(C)CC[C@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C19H23FN2O/c1-22-10-9-18(15-4-6-17(20)7-5-15)16(13-22)11-14-3-8-19(23-2)21-12-14/h3-8,12,16,18H,9-11,13H2,1-2H3/t16-,18+/m1/s1
InChIKeyFEEHJVRNHDHGFA-AEFFLSMTSA-N
XLogP3.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine?
The IUPAC name of 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine (CID 166447289) is 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine.
What is the SMILES notation for 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine?
The canonical SMILES for 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine is COc1ccc(C[C@@H]2CN(C)CC[C@H]2c2ccc(F)cc2)cn1.
What is the InChIKey of 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine?
The InChIKey is FEEHJVRNHDHGFA-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-22-10-9-18(15-4-6-17(20)7-5-15)16(13-22)11-14-3-8-19(23-2)21-12-14/h3-8,12,16,18H,9-11,13H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine?
5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine has a molecular weight of 314.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methoxypyridine is sourced from PubChem (CID 166447289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).