1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine

C13H24F2N2 — CID 164768092

IUPAC1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCC(F)CC2F)CC1
InChIInChI=1S/C13H24F2N2/c1-10(2)16-5-7-17(8-6-16)13-4-3-11(14)9-12(13)15/h10-13H,3-9H2,1-2H3
InChIKeyKIYWHNZFTYONFW-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.24
Rot. Bonds2

About 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine

1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine (PubChem CID 164768092) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine
PubChem CID164768092
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCC(F)CC2F)CC1
InChIInChI=1S/C13H24F2N2/c1-10(2)16-5-7-17(8-6-16)13-4-3-11(14)9-12(13)15/h10-13H,3-9H2,1-2H3
InChIKeyKIYWHNZFTYONFW-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine (CID 164768092) is 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CCC(F)CC2F)CC1.
What is the InChIKey of 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine?
The InChIKey is KIYWHNZFTYONFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-10(2)16-5-7-17(8-6-16)13-4-3-11(14)9-12(13)15/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine?
1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine has a molecular weight of 246.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorocyclohexyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 164768092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).