1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine

C13H22F2N2 — CID 71979060

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
SMILESFC(F)CN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C13H22F2N2/c14-13(15)9-16-3-5-17(6-4-16)12-8-10-1-2-11(12)7-10/h10-13H,1-9H2
InChIKeyNIFRWZQFFKQRHA-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.06
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine (PubChem CID 71979060) has the molecular formula C13H22F2N2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
PubChem CID71979060
Molecular FormulaC13H22F2N2
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
SMILESFC(F)CN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C13H22F2N2/c14-13(15)9-16-3-5-17(6-4-16)12-8-10-1-2-11(12)7-10/h10-13H,1-9H2
InChIKeyNIFRWZQFFKQRHA-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
CID 111701832
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 6542710
1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111701834
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159
1-[3-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 111753969
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazine
CID 7325613
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-chlorophenyl)methyl]piperazine
CID 50935549
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 98126141
1-(2-bicyclo[2.2.1]heptanyl)-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483737
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 124731696

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine (CID 71979060) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine is FC(F)CN1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine?
The InChIKey is NIFRWZQFFKQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2/c14-13(15)9-16-3-5-17(6-4-16)12-8-10-1-2-11(12)7-10/h10-13H,1-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine has a molecular weight of 244.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine is sourced from PubChem (CID 71979060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).