(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine

C12H24FN — CID 157420520

IUPAC(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine
SMILESCC(C)[C@@H]1CN(C(C)C)CC(C)(F)C1
InChIInChI=1S/C12H24FN/c1-9(2)11-6-12(5,13)8-14(7-11)10(3)4/h9-11H,6-8H2,1-5H3/t11-,12?/m0/s1
InChIKeyLKFSMBIIHHKMIN-PXYINDEMSA-N
MW201.33 g/mol
LogP3.10
Rot. Bonds2

About (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine

(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine (PubChem CID 157420520) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine
PubChem CID157420520
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine
SMILESCC(C)[C@@H]1CN(C(C)C)CC(C)(F)C1
InChIInChI=1S/C12H24FN/c1-9(2)11-6-12(5,13)8-14(7-11)10(3)4/h9-11H,6-8H2,1-5H3/t11-,12?/m0/s1
InChIKeyLKFSMBIIHHKMIN-PXYINDEMSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine
CID 174171326
(3R)-4,4-difluoro-1,3-di(propan-2-yl)piperidine;(3S)-4,4-difluoro-1,3-di(propan-2-yl)piperidine;4,4-difluoro-1,3-di(propan-2-yl)piperidine;(2R)-2,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;(2S)-2,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;1,3-di(propan-2-yl)piperidin-4-ol;(3S)-1,3-di(propan-2-yl)piperidin-4-ol;(4S)-1,3-di(propan-2-yl)piperidin-4-ol;3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine;(5S)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine;(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine;(2S,5R)-2-methyl-1,5-di(propan-2-yl)piperidine;(2R,5R)-2-methyl-1,5-di(propan-2-yl)piperidine
CID 157420519
3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
CID 130436525
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane;ethane
CID 172624374
3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159989792
(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 153498477
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146
6,8-di(propan-2-yl)-6-azaspiro[3.4]octane
CID 177092179
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
CID 169193368

Frequently Asked Questions

What is the IUPAC name of (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine?
The IUPAC name of (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine (CID 157420520) is (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine.
What is the SMILES notation for (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine?
The canonical SMILES for (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine is CC(C)[C@@H]1CN(C(C)C)CC(C)(F)C1.
What is the InChIKey of (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine?
The InChIKey is LKFSMBIIHHKMIN-PXYINDEMSA-N. The full InChI is InChI=1S/C12H24FN/c1-9(2)11-6-12(5,13)8-14(7-11)10(3)4/h9-11H,6-8H2,1-5H3/t11-,12?/m0/s1.
What are the key properties of (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine?
(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine has a molecular weight of 201.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine is sourced from PubChem (CID 157420520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).