(2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine

C21H24FNO2 — CID 51556520

IUPAC(2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine
SMILESC[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2
InChIInChI=1S/C21H24FNO2/c1-15-7-5-6-10-23(15)13-17-11-19(22)12-18-14-24-21(25-20(17)18)16-8-3-2-4-9-16/h2-4,8-9,11-12,15,21H,5-7,10,13-14H2,1H3/t15-,21-/m1/s1
InChIKeyQPCFTGNGVCQFQN-QVKFZJNVSA-N
MW341.43 g/mol
LogP4.81
Rot. Bonds3

About (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine

(2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine (PubChem CID 51556520) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine
PubChem CID51556520
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name(2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine
SMILESC[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2
InChIInChI=1S/C21H24FNO2/c1-15-7-5-6-10-23(15)13-17-11-19(22)12-18-14-24-21(25-20(17)18)16-8-3-2-4-9-16/h2-4,8-9,11-12,15,21H,5-7,10,13-14H2,1H3/t15-,21-/m1/s1
InChIKeyQPCFTGNGVCQFQN-QVKFZJNVSA-N
XLogP4.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine?
The IUPAC name of (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine (CID 51556520) is (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine.
What is the SMILES notation for (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine?
The canonical SMILES for (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine is C[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2.
What is the InChIKey of (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine?
The InChIKey is QPCFTGNGVCQFQN-QVKFZJNVSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-15-7-5-6-10-23(15)13-17-11-19(22)12-18-14-24-21(25-20(17)18)16-8-3-2-4-9-16/h2-4,8-9,11-12,15,21H,5-7,10,13-14H2,1H3/t15-,21-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine?
(2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine has a molecular weight of 341.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpiperidine is sourced from PubChem (CID 51556520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).