3-cyclohexyl-1-(2,3-difluorophenyl)piperazine

C16H22F2N2 — CID 64924730

IUPAC3-cyclohexyl-1-(2,3-difluorophenyl)piperazine
SMILESFc1cccc(N2CCNC(C3CCCCC3)C2)c1F
InChIInChI=1S/C16H22F2N2/c17-13-7-4-8-15(16(13)18)20-10-9-19-14(11-20)12-5-2-1-3-6-12/h4,7-8,12,14,19H,1-3,5-6,9-11H2
InChIKeyHEGNSTPACKEXPO-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.32
Rot. Bonds2

About 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine

3-cyclohexyl-1-(2,3-difluorophenyl)piperazine (PubChem CID 64924730) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,3-difluorophenyl)piperazine
PubChem CID64924730
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name3-cyclohexyl-1-(2,3-difluorophenyl)piperazine
SMILESFc1cccc(N2CCNC(C3CCCCC3)C2)c1F
InChIInChI=1S/C16H22F2N2/c17-13-7-4-8-15(16(13)18)20-10-9-19-14(11-20)12-5-2-1-3-6-12/h4,7-8,12,14,19H,1-3,5-6,9-11H2
InChIKeyHEGNSTPACKEXPO-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine (CID 64924730) is 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine is Fc1cccc(N2CCNC(C3CCCCC3)C2)c1F.
What is the InChIKey of 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine?
The InChIKey is HEGNSTPACKEXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-13-7-4-8-15(16(13)18)20-10-9-19-14(11-20)12-5-2-1-3-6-12/h4,7-8,12,14,19H,1-3,5-6,9-11H2.
What are the key properties of 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine?
3-cyclohexyl-1-(2,3-difluorophenyl)piperazine has a molecular weight of 280.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,3-difluorophenyl)piperazine is sourced from PubChem (CID 64924730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).