3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane

C21H44F2N2 — CID 170599656

IUPAC3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane
SMILESCC.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CNCC(F)(F)C1
InChIInChI=1S/C11H23N.C8H15F2N.C2H6/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)7-3-8(9,10)5-11-4-7;1-2/h9-11H,5-8H2,1-4H3;6-7,11H,3-5H2,1-2H3;1-2H3
InChIKeyLYABNNYZQHOQKL-UHFFFAOYSA-N
MW362.59 g/mol
LogP5.68
Rot. Bonds3

About 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane

3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane (PubChem CID 170599656) has the molecular formula C21H44F2N2 and a molecular weight of 362.59 g/mol. Its IUPAC name is 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane
PubChem CID170599656
Molecular FormulaC21H44F2N2
Molecular Weight362.59 g/mol
Exact Mass362.35
IUPAC Name3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane
SMILESCC.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CNCC(F)(F)C1
InChIInChI=1S/C11H23N.C8H15F2N.C2H6/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)7-3-8(9,10)5-11-4-7;1-2/h9-11H,5-8H2,1-4H3;6-7,11H,3-5H2,1-2H3;1-2H3
InChIKeyLYABNNYZQHOQKL-UHFFFAOYSA-N
XLogP5.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.59
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane?
The IUPAC name of 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane (CID 170599656) is 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane.
What is the SMILES notation for 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane?
The canonical SMILES for 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane is CC.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CNCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane?
The InChIKey is LYABNNYZQHOQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C8H15F2N.C2H6/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-6(2)7-3-8(9,10)5-11-4-7;1-2/h9-11H,5-8H2,1-4H3;6-7,11H,3-5H2,1-2H3;1-2H3.
What are the key properties of 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane?
3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane has a molecular weight of 362.59 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;ethane is sourced from PubChem (CID 170599656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).