1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

C53H102F9N5 — CID 159741560

IUPAC1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)C1CCN(CC(C)(C)F)CC1.CC(C)C1CCN(CC(C)(F)F)CC1.CC(C)C1CCN(CC(F)(F)F)CC1.CC(C)C1CCN(CC(F)F)CC1.CC(C)C1CCN(CCF)CC1
InChIInChI=1S/C12H24FN.C11H21F2N.C10H18F3N.C10H19F2N.C10H20FN/c1-10(2)11-5-7-14(8-6-11)9-12(3,4)13;1-9(2)10-4-6-14(7-5-10)8-11(3,12)13;1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;1-8(2)9-3-5-13(6-4-9)7-10(11)12;1-9(2)10-3-6-12(7-4-10)8-5-11/h10-11H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyNCNFVQUNCRESKX-UHFFFAOYSA-N
MW980.42 g/mol
LogP13.97
Rot. Bonds14

About 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 159741560) has the molecular formula C53H102F9N5 and a molecular weight of 980.42 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID159741560
Molecular FormulaC53H102F9N5
Molecular Weight980.42 g/mol
Exact Mass979.80
IUPAC Name1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)C1CCN(CC(C)(C)F)CC1.CC(C)C1CCN(CC(C)(F)F)CC1.CC(C)C1CCN(CC(F)(F)F)CC1.CC(C)C1CCN(CC(F)F)CC1.CC(C)C1CCN(CCF)CC1
InChIInChI=1S/C12H24FN.C11H21F2N.C10H18F3N.C10H19F2N.C10H20FN/c1-10(2)11-5-7-14(8-6-11)9-12(3,4)13;1-9(2)10-4-6-14(7-5-10)8-11(3,12)13;1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;1-8(2)9-3-5-13(6-4-9)7-10(11)12;1-9(2)10-3-6-12(7-4-10)8-5-11/h10-11H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyNCNFVQUNCRESKX-UHFFFAOYSA-N
XLogP13.97
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.42
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine with MolForge

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Related Compounds

5,5-Difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine
CID 145329471
4,4-Difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)
CID 158438877
(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane
CID 158444693
1-Tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine
CID 158858302
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 159676408
1-Tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;bis(1-tert-butylpiperidine);1-tert-butyl-4-(trifluoromethyl)piperidine
CID 160082129
(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;ethane
CID 160263181
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;bis(1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine);4-propan-2-yl-1-propylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 160337939
3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5R)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;(5S)-3,3-difluoro-5-propan-2-ylpiperidin-1-ide;2-methyl-5-propan-2-ylpiperidin-1-ide;(2S,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;(2R,5S)-2-methyl-5-propan-2-ylpiperidin-1-ide;bis((2S,5R)-2-methyl-5-propan-2-ylpiperidin-1-ide);propane;octakis(yttrium)
CID 161421397
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine)
CID 164947690
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine
CID 165014394
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);ethane;2-fluoro-1,4-di(propan-2-yl)piperidine
CID 167660912

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (CID 159741560) is 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is CC(C)C1CCN(CC(C)(C)F)CC1.CC(C)C1CCN(CC(C)(F)F)CC1.CC(C)C1CCN(CC(F)(F)F)CC1.CC(C)C1CCN(CC(F)F)CC1.CC(C)C1CCN(CCF)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is NCNFVQUNCRESKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN.C11H21F2N.C10H18F3N.C10H19F2N.C10H20FN/c1-10(2)11-5-7-14(8-6-11)9-12(3,4)13;1-9(2)10-4-6-14(7-5-10)8-11(3,12)13;1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;1-8(2)9-3-5-13(6-4-9)7-10(11)12;1-9(2)10-3-6-12(7-4-10)8-5-11/h10-11H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 980.42 g/mol, XLogP of 13.97, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 159741560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).