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

C63H129F4N7O — CID 160970847

IUPAC1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;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)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC1(F)CCCN(C(C)(C)C)C1.CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C10H20FN.C10H21N.C9H17F2N.C9H18FN.C9H19N.C8H17NO.C8H17N/c1-9(2,3)12-7-5-6-10(4,11)8-12;1-9-6-5-7-11(8-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-6-4-8(10)5-7-11;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/h5-8H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeySYFQISYMIBINRR-UHFFFAOYSA-N
MW1076.76 g/mol
LogP15.13
Rot. Bonds

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

1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 160970847) has the molecular formula C63H129F4N7O and a molecular weight of 1076.76 g/mol. Its IUPAC name is 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID160970847
Molecular FormulaC63H129F4N7O
Molecular Weight1076.76 g/mol
Exact Mass1076.02
IUPAC Name1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;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)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC1(F)CCCN(C(C)(C)C)C1.CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C10H20FN.C10H21N.C9H17F2N.C9H18FN.C9H19N.C8H17NO.C8H17N/c1-9(2,3)12-7-5-6-10(4,11)8-12;1-9-6-5-7-11(8-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-6-4-8(10)5-7-11;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/h5-8H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;8H,4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeySYFQISYMIBINRR-UHFFFAOYSA-N
XLogP15.13
TPSA31.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.76
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;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-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 160970847) is 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;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)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC1(F)CCCN(C(C)(C)C)C1.CC1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is SYFQISYMIBINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN.C10H21N.C9H17F2N.C9H18FN.C9H19N.C8H17NO.C8H17N/c1-9(2,3)12-7-5-6-10(4,11)8-12;1-9-6-5-7-11(8-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-6-4-8(10)5-7-11;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/h5-8H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;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-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 1076.76 g/mol, XLogP of 15.13, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 160970847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).