(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine

C11H19F2NO — CID 144948013

IUPAC(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine
SMILESC[C@@H]1CCN(C2CCOCC2)CC1(F)F
InChIInChI=1S/C11H19F2NO/c1-9-2-5-14(8-11(9,12)13)10-3-6-15-7-4-10/h9-10H,2-8H2,1H3/t9-/m1/s1
InChIKeyUQOUOWYRWAVEME-SECBINFHSA-N
MW219.27 g/mol
LogP2.14
Rot. Bonds1

About (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine

(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine (PubChem CID 144948013) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine
PubChem CID144948013
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine
SMILESC[C@@H]1CCN(C2CCOCC2)CC1(F)F
InChIInChI=1S/C11H19F2NO/c1-9-2-5-14(8-11(9,12)13)10-3-6-15-7-4-10/h9-10H,2-8H2,1H3/t9-/m1/s1
InChIKeyUQOUOWYRWAVEME-SECBINFHSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
4-[Ethoxy(difluoro)methyl]-1-ethylpiperidine
CID 20723957
4-Fluoro-1-(oxan-4-yl)piperidine
CID 68317224
4-Tert-butyl-1-(3-fluorooxan-4-yl)piperidine
CID 118084454
4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine
CID 118084479
1-(3-Fluorooxan-4-yl)-4-methylpiperidine
CID 121366966
1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
CID 121404019
1-(3-Fluorooxan-4-yl)-4-propan-2-ylpiperidine
CID 123280602
1-[1,1,1,3,3-Pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-(trifluoromethyl)piperidine
CID 130418367
1-[1,1,1,3,3-Pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-4-(trifluoromethyl)piperidine
CID 130418435
1-[1-(1,4-Dioxan-2-yl)-1,1,3,3,3-pentafluoropropan-2-yl]-4-(trifluoromethyl)piperidine
CID 130427238
3,3-Difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane
CID 144507261

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine?
The IUPAC name of (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine (CID 144948013) is (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine.
What is the SMILES notation for (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine?
The canonical SMILES for (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine is C[C@@H]1CCN(C2CCOCC2)CC1(F)F.
What is the InChIKey of (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine?
The InChIKey is UQOUOWYRWAVEME-SECBINFHSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-9-2-5-14(8-11(9,12)13)10-3-6-15-7-4-10/h9-10H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine?
(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine has a molecular weight of 219.27 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 144948013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).