2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C19H23F3N2O — CID 2861949

IUPAC2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(C1CC2CCC1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N2O/c20-19(21,22)15-2-1-3-16(12-15)23-6-8-24(9-7-23)18(25)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2
InChIKeyNUGNDGUTWSCSFP-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.79
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 2861949) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID2861949
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(C1CC2CCC1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N2O/c20-19(21,22)15-2-1-3-16(12-15)23-6-8-24(9-7-23)18(25)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2
InChIKeyNUGNDGUTWSCSFP-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 2861949) is 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(C1CC2CCC1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is NUGNDGUTWSCSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c20-19(21,22)15-2-1-3-16(12-15)23-6-8-24(9-7-23)18(25)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 352.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2861949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).