methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate

C19H25F3N2O2 — CID 130187318

IUPACmethyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cc(C(F)(F)F)ccc2N2CCNCC2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-26-18(25)14-4-2-13(3-5-14)16-12-15(19(20,21)22)6-7-17(16)24-10-8-23-9-11-24/h6-7,12-14,23H,2-5,8-11H2,1H3
InChIKeyGSHNWTHKIJSTJZ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.56
Rot. Bonds3

About methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate

methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate (PubChem CID 130187318) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate
PubChem CID130187318
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Namemethyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cc(C(F)(F)F)ccc2N2CCNCC2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-26-18(25)14-4-2-13(3-5-14)16-12-15(19(20,21)22)6-7-17(16)24-10-8-23-9-11-24/h6-7,12-14,23H,2-5,8-11H2,1H3
InChIKeyGSHNWTHKIJSTJZ-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate (CID 130187318) is methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2cc(C(F)(F)F)ccc2N2CCNCC2)CC1.
What is the InChIKey of methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate?
The InChIKey is GSHNWTHKIJSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-26-18(25)14-4-2-13(3-5-14)16-12-15(19(20,21)22)6-7-17(16)24-10-8-23-9-11-24/h6-7,12-14,23H,2-5,8-11H2,1H3.
What are the key properties of methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate?
methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate has a molecular weight of 370.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 130187318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).