(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine

C11H22FN — CID 58286803

IUPAC(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
SMILESCC(C)(C)CCC1CCNC[C@@H]1F
InChIInChI=1S/C11H22FN/c1-11(2,3)6-4-9-5-7-13-8-10(9)12/h9-10,13H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyQCZDOOOEMLFGMC-AXDSSHIGSA-N
MW187.30 g/mol
LogP2.76
Rot. Bonds2

About (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine

(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine (PubChem CID 58286803) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine.

Molecular Properties

Compound Name(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
PubChem CID58286803
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
SMILESCC(C)(C)CCC1CCNC[C@@H]1F
InChIInChI=1S/C11H22FN/c1-11(2,3)6-4-9-5-7-13-8-10(9)12/h9-10,13H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyQCZDOOOEMLFGMC-AXDSSHIGSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054
4-fluoro-5-propylazepane
CID 84650925
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397
[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid
CID 69415587
[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 82602052
(3S,4R)-3-fluoro-4-methylsulfanylpiperidine
CID 118661743
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691
ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide
CID 134280659
4-(2,2-dimethylpropyl)-3-methoxypiperidine
CID 105441862
4-fluoro-3-(2,2,2-trifluoroethyl)piperidine
CID 84769566
3-(2,2-dimethylpropyl)-4-methylpiperidine
CID 164775462
3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
CID 115058342

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine?
The IUPAC name of (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine (CID 58286803) is (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine.
What is the SMILES notation for (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine?
The canonical SMILES for (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine is CC(C)(C)CCC1CCNC[C@@H]1F.
What is the InChIKey of (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine?
The InChIKey is QCZDOOOEMLFGMC-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(2,3)6-4-9-5-7-13-8-10(9)12/h9-10,13H,4-8H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine?
(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine has a molecular weight of 187.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine is sourced from PubChem (CID 58286803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).