4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine

C23H29FN2O2 — CID 146286051

IUPAC4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCc1cc(C[C@H]2CCCN([C@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C)n1
InChIInChI=1S/C23H29FN2O2/c1-15-9-19(10-16(2)25-15)11-18-5-4-6-26(14-18)17(3)20-12-22-23(13-21(20)24)28-8-7-27-22/h9-10,12-13,17-18H,4-8,11,14H2,1-3H3/t17-,18-/m1/s1
InChIKeyRYBQNURGSMXCLA-QZTJIDSGSA-N
MW384.50 g/mol
LogP4.62
Rot. Bonds4

About 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine

4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine (PubChem CID 146286051) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
PubChem CID146286051
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCc1cc(C[C@H]2CCCN([C@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C)n1
InChIInChI=1S/C23H29FN2O2/c1-15-9-19(10-16(2)25-15)11-18-5-4-6-26(14-18)17(3)20-12-22-23(13-21(20)24)28-8-7-27-22/h9-10,12-13,17-18H,4-8,11,14H2,1-3H3/t17-,18-/m1/s1
InChIKeyRYBQNURGSMXCLA-QZTJIDSGSA-N
XLogP4.62
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The IUPAC name of 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine (CID 146286051) is 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine.
What is the SMILES notation for 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The canonical SMILES for 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine is Cc1cc(C[C@H]2CCCN([C@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C)n1.
What is the InChIKey of 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The InChIKey is RYBQNURGSMXCLA-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-15-9-19(10-16(2)25-15)11-18-5-4-6-26(14-18)17(3)20-12-22-23(13-21(20)24)28-8-7-27-22/h9-10,12-13,17-18H,4-8,11,14H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine has a molecular weight of 384.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine is sourced from PubChem (CID 146286051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).