1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine

C13H24F2N2 — CID 165128560

IUPAC1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine
SMILESCC(C)(C1CCC(F)(F)CC1)N1CCNCC1
InChIInChI=1S/C13H24F2N2/c1-12(2,17-9-7-16-8-10-17)11-3-5-13(14,15)6-4-11/h11,16H,3-10H2,1-2H3
InChIKeyGUBPCEXTYAPSOZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.50
Rot. Bonds2

About 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine

1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine (PubChem CID 165128560) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine
PubChem CID165128560
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine
SMILESCC(C)(C1CCC(F)(F)CC1)N1CCNCC1
InChIInChI=1S/C13H24F2N2/c1-12(2,17-9-7-16-8-10-17)11-3-5-13(14,15)6-4-11/h11,16H,3-10H2,1-2H3
InChIKeyGUBPCEXTYAPSOZ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
The IUPAC name of 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine (CID 165128560) is 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine is CC(C)(C1CCC(F)(F)CC1)N1CCNCC1.
What is the InChIKey of 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
The InChIKey is GUBPCEXTYAPSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-12(2,17-9-7-16-8-10-17)11-3-5-13(14,15)6-4-11/h11,16H,3-10H2,1-2H3.
What are the key properties of 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine has a molecular weight of 246.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine is sourced from PubChem (CID 165128560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).