(5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine

C11H21F2NO — CID 169009483

IUPAC(5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCN1C[C@H](COC(C)(C)C)CC(F)(F)C1
InChIInChI=1S/C11H21F2NO/c1-10(2,3)15-7-9-5-11(12,13)8-14(4)6-9/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyYBNHYOLRFGNJPP-SECBINFHSA-N
MW221.29 g/mol
LogP2.39
Rot. Bonds2

About (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine

(5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine (PubChem CID 169009483) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name(5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine
PubChem CID169009483
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name(5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCN1C[C@H](COC(C)(C)C)CC(F)(F)C1
InChIInChI=1S/C11H21F2NO/c1-10(2,3)15-7-9-5-11(12,13)8-14(4)6-9/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyYBNHYOLRFGNJPP-SECBINFHSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The IUPAC name of (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine (CID 169009483) is (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine.
What is the SMILES notation for (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The canonical SMILES for (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine is CN1C[C@H](COC(C)(C)C)CC(F)(F)C1.
What is the InChIKey of (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The InChIKey is YBNHYOLRFGNJPP-SECBINFHSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-10(2,3)15-7-9-5-11(12,13)8-14(4)6-9/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine?
(5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine has a molecular weight of 221.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3-difluoro-1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 169009483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).