1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C61H123F6N7O — CID 157404259

IUPAC1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/2C9H17F2N.2C9H18FN.C9H19N.C8H17NO.C8H17N/c1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11-6-4-5-8(10)7-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h2*4-7H2,1-3H3;2*8H,4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyBNNOJGAFGNXVNG-UHFFFAOYSA-N
MW1084.69 g/mol
LogP14.74
Rot. Bonds

About 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 157404259) has the molecular formula C61H123F6N7O and a molecular weight of 1084.69 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID157404259
Molecular FormulaC61H123F6N7O
Molecular Weight1084.69 g/mol
Exact Mass1083.97
IUPAC Name1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/2C9H17F2N.2C9H18FN.C9H19N.C8H17NO.C8H17N/c1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11-6-4-5-8(10)7-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h2*4-7H2,1-3H3;2*8H,4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyBNNOJGAFGNXVNG-UHFFFAOYSA-N
XLogP14.74
TPSA31.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.69
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 157404259) is 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.
What is the InChIKey of 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is BNNOJGAFGNXVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17F2N.2C9H18FN.C9H19N.C8H17NO.C8H17N/c1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11-6-4-5-8(10)7-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h2*4-7H2,1-3H3;2*8H,4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 1084.69 g/mol, XLogP of 14.74, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 157404259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).