1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine

C103H206F2N10O4 — CID 163878173

IUPAC1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine
SMILESCC(C)C(C)(C)C1CCN(C)CC1.CC(C)C(C)(C)C1CCNCC1.CC(C)C(C)(C)N1C2CCC1COC2.CC(C)C(C)(C)N1CC2(COC2)C1.CC(C)C(C)(C)N1CC2CC1CN2C.CC(C)C(C)(C)N1CC2CC1CO2.CC(C)C(C)(C)N1CCC(F)(F)CC1.CC(C)C(C)(C)N1CCCCC1.CC1CN(C(C)(C)C(C)C)CC(C)O1
InChIInChI=1S/C12H24N2.C12H23NO.C12H25NO.C12H25N.C11H21F2N.2C11H21NO.2C11H23N/c1-9(2)12(3,4)14-8-10-6-11(14)7-13(10)5;1-9(2)12(3,4)13-10-5-6-11(13)8-14-7-10;1-9(2)12(5,6)13-7-10(3)14-11(4)8-13;1-10(2)12(3,4)11-6-8-13(5)9-7-11;1-9(2)10(3,4)14-7-5-11(12,13)6-8-14;1-9(2)10(3,4)12-5-11(6-12)7-13-8-11;1-8(2)11(3,4)12-6-10-5-9(12)7-13-10;1-9(2)11(3,4)10-5-7-12-8-6-10;1-10(2)11(3,4)12-8-6-5-7-9-12/h9-11H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3;9-11H,7-8H2,1-6H3;10-11H,6-9H2,1-5H3;9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9-10,12H,5-8H2,1-4H3;10H,5-9H2,1-4H3
InChIKeyPQSUVDXHUKBENC-UHFFFAOYSA-N
MW1686.84 g/mol
LogP22.01
Rot. Bonds18

About 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine

1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine (PubChem CID 163878173) has the molecular formula C103H206F2N10O4 and a molecular weight of 1686.84 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine
PubChem CID163878173
Molecular FormulaC103H206F2N10O4
Molecular Weight1686.84 g/mol
Exact Mass1685.62
IUPAC Name1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine
SMILESCC(C)C(C)(C)C1CCN(C)CC1.CC(C)C(C)(C)C1CCNCC1.CC(C)C(C)(C)N1C2CCC1COC2.CC(C)C(C)(C)N1CC2(COC2)C1.CC(C)C(C)(C)N1CC2CC1CN2C.CC(C)C(C)(C)N1CC2CC1CO2.CC(C)C(C)(C)N1CCC(F)(F)CC1.CC(C)C(C)(C)N1CCCCC1.CC1CN(C(C)(C)C(C)C)CC(C)O1
InChIInChI=1S/C12H24N2.C12H23NO.C12H25NO.C12H25N.C11H21F2N.2C11H21NO.2C11H23N/c1-9(2)12(3,4)14-8-10-6-11(14)7-13(10)5;1-9(2)12(3,4)13-10-5-6-11(13)8-14-7-10;1-9(2)12(5,6)13-7-10(3)14-11(4)8-13;1-10(2)12(3,4)11-6-8-13(5)9-7-11;1-9(2)10(3,4)14-7-5-11(12,13)6-8-14;1-9(2)10(3,4)12-5-11(6-12)7-13-8-11;1-8(2)11(3,4)12-6-10-5-9(12)7-13-10;1-9(2)11(3,4)10-5-7-12-8-6-10;1-10(2)11(3,4)12-8-6-5-7-9-12/h9-11H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3;9-11H,7-8H2,1-6H3;10-11H,6-9H2,1-5H3;9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9-10,12H,5-8H2,1-4H3;10H,5-9H2,1-4H3
InChIKeyPQSUVDXHUKBENC-UHFFFAOYSA-N
XLogP22.01
TPSA78.11 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.84
LogP ≤ 522.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine (CID 163878173) is 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine is CC(C)C(C)(C)C1CCN(C)CC1.CC(C)C(C)(C)C1CCNCC1.CC(C)C(C)(C)N1C2CCC1COC2.CC(C)C(C)(C)N1CC2(COC2)C1.CC(C)C(C)(C)N1CC2CC1CN2C.CC(C)C(C)(C)N1CC2CC1CO2.CC(C)C(C)(C)N1CCC(F)(F)CC1.CC(C)C(C)(C)N1CCCCC1.CC1CN(C(C)(C)C(C)C)CC(C)O1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine?
The InChIKey is PQSUVDXHUKBENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C12H23NO.C12H25NO.C12H25N.C11H21F2N.2C11H21NO.2C11H23N/c1-9(2)12(3,4)14-8-10-6-11(14)7-13(10)5;1-9(2)12(3,4)13-10-5-6-11(13)8-14-7-10;1-9(2)12(5,6)13-7-10(3)14-11(4)8-13;1-10(2)12(3,4)11-6-8-13(5)9-7-11;1-9(2)10(3,4)14-7-5-11(12,13)6-8-14;1-9(2)10(3,4)12-5-11(6-12)7-13-8-11;1-8(2)11(3,4)12-6-10-5-9(12)7-13-10;1-9(2)11(3,4)10-5-7-12-8-6-10;1-10(2)11(3,4)12-8-6-5-7-9-12/h9-11H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3;9-11H,7-8H2,1-6H3;10-11H,6-9H2,1-5H3;9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9-10,12H,5-8H2,1-4H3;10H,5-9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine?
1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine has a molecular weight of 1686.84 g/mol, XLogP of 22.01, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-4,4-difluoropiperidine;4-(2,3-dimethylbutan-2-yl)-2,6-dimethylmorpholine;2-(2,3-dimethylbutan-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;4-(2,3-dimethylbutan-2-yl)-1-methylpiperidine;5-(2,3-dimethylbutan-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane;8-(2,3-dimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;6-(2,3-dimethylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane;1-(2,3-dimethylbutan-2-yl)piperidine;4-(2,3-dimethylbutan-2-yl)piperidine is sourced from PubChem (CID 163878173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).