4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

C15H15F3NO4- — CID 152780099

IUPAC4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
SMILESCOC(=O)C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)[O-])CC1
InChIInChI=1S/C15H16F3NO4/c1-23-12(20)14(5-7-19(8-6-14)13(21)22)10-3-2-4-11(9-10)15(16,17)18/h2-4,9H,5-8H2,1H3,(H,21,22)/p-1
InChIKeyGVCPRBFVQOAAPJ-UHFFFAOYSA-M
MW330.28 g/mol
LogP1.56
Rot. Bonds2

About 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate (PubChem CID 152780099) has the molecular formula C15H15F3NO4- and a molecular weight of 330.28 g/mol. Its IUPAC name is 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
PubChem CID152780099
Molecular FormulaC15H15F3NO4-
Molecular Weight330.28 g/mol
Exact Mass330.10
IUPAC Name4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
SMILESCOC(=O)C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)[O-])CC1
InChIInChI=1S/C15H16F3NO4/c1-23-12(20)14(5-7-19(8-6-14)13(21)22)10-3-2-4-11(9-10)15(16,17)18/h2-4,9H,5-8H2,1H3,(H,21,22)/p-1
InChIKeyGVCPRBFVQOAAPJ-UHFFFAOYSA-M
XLogP1.56
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 55513260
2-chloro-1-[4-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 174485792
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl chloride
CID 20511834
methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 14649985
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
CID 56575500
oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate
CID 102558626
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate?
The IUPAC name of 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate (CID 152780099) is 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate?
The canonical SMILES for 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate is COC(=O)C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)[O-])CC1.
What is the InChIKey of 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate?
The InChIKey is GVCPRBFVQOAAPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16F3NO4/c1-23-12(20)14(5-7-19(8-6-14)13(21)22)10-3-2-4-11(9-10)15(16,17)18/h2-4,9H,5-8H2,1H3,(H,21,22)/p-1.
What are the key properties of 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate?
4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate has a molecular weight of 330.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 152780099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).