1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol

C149H304F12N20O6 — CID 160834456

IUPAC1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC(O)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)C1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC(F)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNC(=O)C1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@H](F)C1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C9H17F2N.2C9H18FN.C9H20N2.2C9H19NO.C9H19N.C8H15F2N.2C8H16FN.C8H16N2O.2C8H17NO.C8H17N.C7H13F2N.C7H15NO.C7H15N/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)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)10-5-4-9-7(11)6-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)8-4-6(9)5-8;1-7(2,3)8-5-4-6-8/h2*4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5-8H2,1-4H3;2*8,11H,4-7H2,1-3H3;4-8H2,1-3H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3,(H,9,11);4-7H2,1-3H3;7,10H,4-6H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3;6,9H,4-5H2,1-3H3;4-6H2,1-3H3/t;;;;;;;;;7-;;;;;;;;/m.........0......../s1
InChIKeySHFPXBYBXSRNIU-WWSKZZEWSA-N
MW2700.18 g/mol
LogP28.79
Rot. Bonds

About 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol

1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol (PubChem CID 160834456) has the molecular formula C149H304F12N20O6 and a molecular weight of 2700.18 g/mol. Its IUPAC name is 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol
PubChem CID160834456
Molecular FormulaC149H304F12N20O6
Molecular Weight2700.18 g/mol
Exact Mass2698.39
IUPAC Name1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC(O)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)C1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC(F)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNC(=O)C1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@H](F)C1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C9H17F2N.2C9H18FN.C9H20N2.2C9H19NO.C9H19N.C8H15F2N.2C8H16FN.C8H16N2O.2C8H17NO.C8H17N.C7H13F2N.C7H15NO.C7H15N/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)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)10-5-4-9-7(11)6-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)8-4-6(9)5-8;1-7(2,3)8-5-4-6-8/h2*4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5-8H2,1-4H3;2*8,11H,4-7H2,1-3H3;4-8H2,1-3H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3,(H,9,11);4-7H2,1-3H3;7,10H,4-6H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3;6,9H,4-5H2,1-3H3;4-6H2,1-3H3/t;;;;;;;;;7-;;;;;;;;/m.........0......../s1
InChIKeySHFPXBYBXSRNIU-WWSKZZEWSA-N
XLogP28.79
TPSA180.81 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002700.18
LogP ≤ 528.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol?
The IUPAC name of 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol (CID 160834456) is 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol?
The canonical SMILES for 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol is CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC(O)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)C1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC(F)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNC(=O)C1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@H](F)C1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol?
The InChIKey is SHFPXBYBXSRNIU-WWSKZZEWSA-N. The full InChI is InChI=1S/2C9H17F2N.2C9H18FN.C9H20N2.2C9H19NO.C9H19N.C8H15F2N.2C8H16FN.C8H16N2O.2C8H17NO.C8H17N.C7H13F2N.C7H15NO.C7H15N/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)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)10-5-4-9-7(11)6-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)8-4-6(9)5-8;1-7(2,3)8-5-4-6-8/h2*4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5-8H2,1-4H3;2*8,11H,4-7H2,1-3H3;4-8H2,1-3H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3,(H,9,11);4-7H2,1-3H3;7,10H,4-6H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3;6,9H,4-5H2,1-3H3;4-6H2,1-3H3/t;;;;;;;;;7-;;;;;;;;/m.........0......../s1.
What are the key properties of 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol?
1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol has a molecular weight of 2700.18 g/mol, XLogP of 28.79, 0 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol is sourced from PubChem (CID 160834456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).