ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate

C20H27F3N2O2 — CID 155199367

IUPACethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(C(F)(F)F)ccc2C2CCNCC2)C1
InChIInChI=1S/C20H27F3N2O2/c1-2-27-19(26)15-4-3-11-25(13-15)18-12-16(20(21,22)23)5-6-17(18)14-7-9-24-10-8-14/h5-6,12,14-15,24H,2-4,7-11,13H2,1H3
InChIKeyWPXYPKBQRFXUBG-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.95
Rot. Bonds4

About ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate

ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate (PubChem CID 155199367) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate
PubChem CID155199367
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Nameethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(C(F)(F)F)ccc2C2CCNCC2)C1
InChIInChI=1S/C20H27F3N2O2/c1-2-27-19(26)15-4-3-11-25(13-15)18-12-16(20(21,22)23)5-6-17(18)14-7-9-24-10-8-14/h5-6,12,14-15,24H,2-4,7-11,13H2,1H3
InChIKeyWPXYPKBQRFXUBG-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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Related Compounds

ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 118550890
1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine
CID 147908509
ethyl (3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 40649668
ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate
CID 23477113
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
ethyl (3S)-1-[2-[(2-aminoimidazol-1-yl)methyl]-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 140907725
ethyl 1-[2-[(3R)-1-benzylpyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187257
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
tert-butyl 4-[2-(3-ethylperoxycarbonylpyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 130187221
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
ethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187320
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate (CID 155199367) is ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2cc(C(F)(F)F)ccc2C2CCNCC2)C1.
What is the InChIKey of ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate?
The InChIKey is WPXYPKBQRFXUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-2-27-19(26)15-4-3-11-25(13-15)18-12-16(20(21,22)23)5-6-17(18)14-7-9-24-10-8-14/h5-6,12,14-15,24H,2-4,7-11,13H2,1H3.
What are the key properties of ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate?
ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-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-3-carboxylate is sourced from PubChem (CID 155199367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).