1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine

C22H42F2N2 — CID 146244489

IUPAC1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine
SMILESCC(C)C(C)(C)N1CC(CC(C)(C(C)C)N2CCCCC2)CC(F)(F)C1
InChIInChI=1S/C22H42F2N2/c1-17(2)20(5,6)26-15-19(14-22(23,24)16-26)13-21(7,18(3)4)25-11-9-8-10-12-25/h17-19H,8-16H2,1-7H3
InChIKeySZAXNRKARVHEOW-UHFFFAOYSA-N
MW372.59 g/mol
LogP5.67
Rot. Bonds6

About 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine

1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine (PubChem CID 146244489) has the molecular formula C22H42F2N2 and a molecular weight of 372.59 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine
PubChem CID146244489
Molecular FormulaC22H42F2N2
Molecular Weight372.59 g/mol
Exact Mass372.33
IUPAC Name1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine
SMILESCC(C)C(C)(C)N1CC(CC(C)(C(C)C)N2CCCCC2)CC(F)(F)C1
InChIInChI=1S/C22H42F2N2/c1-17(2)20(5,6)26-15-19(14-22(23,24)16-26)13-21(7,18(3)4)25-11-9-8-10-12-25/h17-19H,8-16H2,1-7H3
InChIKeySZAXNRKARVHEOW-UHFFFAOYSA-N
XLogP5.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine (CID 146244489) is 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine is CC(C)C(C)(C)N1CC(CC(C)(C(C)C)N2CCCCC2)CC(F)(F)C1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine?
The InChIKey is SZAXNRKARVHEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42F2N2/c1-17(2)20(5,6)26-15-19(14-22(23,24)16-26)13-21(7,18(3)4)25-11-9-8-10-12-25/h17-19H,8-16H2,1-7H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine?
1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine has a molecular weight of 372.59 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-5-(2,3-dimethyl-2-piperidin-1-ylbutyl)-3,3-difluoropiperidine is sourced from PubChem (CID 146244489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).