ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate

C20H27F3N2O2 — CID 118550890

IUPACethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(F)(F)F)ccc2C2CCNCC2)CC1
InChIInChI=1S/C20H27F3N2O2/c1-2-27-19(26)15-7-11-25(12-8-15)18-13-16(20(21,22)23)3-4-17(18)14-5-9-24-10-6-14/h3-4,13-15,24H,2,5-12H2,1H3
InChIKeyCSOGYXKTFNFSGX-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.95
Rot. Bonds4

About ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate

ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate (PubChem CID 118550890) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
PubChem CID118550890
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Nameethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(F)(F)F)ccc2C2CCNCC2)CC1
InChIInChI=1S/C20H27F3N2O2/c1-2-27-19(26)15-7-11-25(12-8-15)18-13-16(20(21,22)23)3-4-17(18)14-5-9-24-10-6-14/h3-4,13-15,24H,2,5-12H2,1H3
InChIKeyCSOGYXKTFNFSGX-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate (CID 118550890) is ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C(F)(F)F)ccc2C2CCNCC2)CC1.
What is the InChIKey of ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
The InChIKey is CSOGYXKTFNFSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-2-27-19(26)15-7-11-25(12-8-15)18-13-16(20(21,22)23)3-4-17(18)14-5-9-24-10-6-14/h3-4,13-15,24H,2,5-12H2,1H3.
What are the key properties of ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 118550890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).