1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine

C72H148F6N10O — CID 159919428

IUPAC1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine
SMILESCC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCOCC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C10H21N.2C9H17F2N.C9H20N2.C9H19N.C8H15F2N.C8H17NO/c1-10(2,3)12-7-5-6-11(4)8-9-12;1-9-5-7-11(8-6-9)10(2,3)4;1-8(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)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)9-4-6-10-7-5-9/h5-9H2,1-4H3;9H,5-8H2,1-4H3;2*4-7H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;4-7H2,1-3H3
InChIKeyNYEZEDIXTBDHRH-UHFFFAOYSA-N
MW1284.03 g/mol
LogP15.37
Rot. Bonds

About 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine

1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine (PubChem CID 159919428) has the molecular formula C72H148F6N10O and a molecular weight of 1284.03 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine
PubChem CID159919428
Molecular FormulaC72H148F6N10O
Molecular Weight1284.03 g/mol
Exact Mass1283.17
IUPAC Name1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine
SMILESCC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCOCC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C10H21N.2C9H17F2N.C9H20N2.C9H19N.C8H15F2N.C8H17NO/c1-10(2,3)12-7-5-6-11(4)8-9-12;1-9-5-7-11(8-6-9)10(2,3)4;1-8(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)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)9-4-6-10-7-5-9/h5-9H2,1-4H3;9H,5-8H2,1-4H3;2*4-7H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;4-7H2,1-3H3
InChIKeyNYEZEDIXTBDHRH-UHFFFAOYSA-N
XLogP15.37
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001284.03
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine 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-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine?
The IUPAC name of 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine (CID 159919428) is 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine?
The canonical SMILES for 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine is CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCOCC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine?
The InChIKey is NYEZEDIXTBDHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C10H21N.2C9H17F2N.C9H20N2.C9H19N.C8H15F2N.C8H17NO/c1-10(2,3)12-7-5-6-11(4)8-9-12;1-9-5-7-11(8-6-9)10(2,3)4;1-8(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)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)9-4-6-10-7-5-9/h5-9H2,1-4H3;9H,5-8H2,1-4H3;2*4-7H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;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-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine?
1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine has a molecular weight of 1284.03 g/mol, XLogP of 15.37, 0 rotatable bonds, 0 hydrogen bond donors, and 11 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-3,3-difluoropyrrolidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine is sourced from PubChem (CID 159919428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).