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

C79H158F9N7 — CID 167660912

IUPACbis(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
SMILESCC.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN(C(C)C)CC1(F)F
InChIInChI=1S/4C11H21F2N.C11H22FN.2C11H23N.C2H6/c2*1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;2*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;1-8(2)10-5-6-13(9(3)4)11(12)7-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h4*8-10H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3;2*9-11H,5-8H2,1-4H3;1-2H3
InChIKeyRYGXYCJGCVCUGE-UHFFFAOYSA-N
MW1377.16 g/mol
LogP22.34
Rot. Bonds14

About 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

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 (PubChem CID 167660912) has the molecular formula C79H158F9N7 and a molecular weight of 1377.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID167660912
Molecular FormulaC79H158F9N7
Molecular Weight1377.16 g/mol
Exact Mass1376.24
IUPAC Namebis(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
SMILESCC.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN(C(C)C)CC1(F)F
InChIInChI=1S/4C11H21F2N.C11H22FN.2C11H23N.C2H6/c2*1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;2*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;1-8(2)10-5-6-13(9(3)4)11(12)7-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h4*8-10H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3;2*9-11H,5-8H2,1-4H3;1-2H3
InChIKeyRYGXYCJGCVCUGE-UHFFFAOYSA-N
XLogP22.34
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001377.16
LogP ≤ 522.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
CID 143051197
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
(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;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
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);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
CID 164982093
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine
CID 165008759

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN(C(C)C)CC1(F)F.
What is the InChIKey of 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?
The InChIKey is RYGXYCJGCVCUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H21F2N.C11H22FN.2C11H23N.C2H6/c2*1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;2*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;1-8(2)10-5-6-13(9(3)4)11(12)7-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h4*8-10H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3;2*9-11H,5-8H2,1-4H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1377.16 g/mol, XLogP of 22.34, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167660912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).