(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine

C16H24FN — CID 159338302

IUPAC(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine
SMILESC[C@H]1CCN(C(C)(C)C)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-12-9-10-18(16(2,3)4)15(11-12)13-5-7-14(17)8-6-13/h5-8,12,15H,9-11H2,1-4H3/t12-,15+/m0/s1
InChIKeyMNDBCHQQYDHYJL-SWLSCSKDSA-N
MW249.37 g/mol
LogP4.40
Rot. Bonds1

About (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine

(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine (PubChem CID 159338302) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine.

Molecular Properties

Compound Name(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine
PubChem CID159338302
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine
SMILESC[C@H]1CCN(C(C)(C)C)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-12-9-10-18(16(2,3)4)15(11-12)13-5-7-14(17)8-6-13/h5-8,12,15H,9-11H2,1-4H3/t12-,15+/m0/s1
InChIKeyMNDBCHQQYDHYJL-SWLSCSKDSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine
CID 46188853
1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
CID 67463353
(3R,4R)-1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
CID 71237779
tert-butyl (4S)-4-methyl-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 172506899
tert-butyl (2S,4R)-2-(4-hydroxyphenyl)-4-methylpiperidine-1-carboxylate
CID 138627786
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583
2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one
CID 141480112
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
2-(4-fluorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
CID 83244270
6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
CID 86649305
tert-butyl 2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 135283904
2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid
CID 164752458

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine?
The IUPAC name of (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine (CID 159338302) is (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine.
What is the SMILES notation for (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine?
The canonical SMILES for (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine is C[C@H]1CCN(C(C)(C)C)[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine?
The InChIKey is MNDBCHQQYDHYJL-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-9-10-18(16(2,3)4)15(11-12)13-5-7-14(17)8-6-13/h5-8,12,15H,9-11H2,1-4H3/t12-,15+/m0/s1.
What are the key properties of (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine?
(2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine has a molecular weight of 249.37 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-tert-butyl-2-(4-fluorophenyl)-4-methylpiperidine is sourced from PubChem (CID 159338302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).