[4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate

C14H16F3NO2 — CID 66720608

IUPAC[4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-6-4-11(5-7-12)10-20-13(19)18-8-2-1-3-9-18/h4-7H,1-3,8-10H2
InChIKeyQGFYHBZOVRANTO-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.83
Rot. Bonds2

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

[4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate (PubChem CID 66720608) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate
PubChem CID66720608
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name[4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-6-4-11(5-7-12)10-20-13(19)18-8-2-1-3-9-18/h4-7H,1-3,8-10H2
InChIKeyQGFYHBZOVRANTO-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
1-(Biphenyl-4-yl)vinyl piperidine-1-carboxylate
CID 44201123
US11440884, Example 73
CID 150917355
1-Benzyloxycarbonyl-3-piperidone
CID 1514169
Benzyl 4-bromotetrahydro-1(2H)-pyridinecarboxylate
CID 2776275
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Benzyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 15637681
Benzyl 4-cyanopiperidine-1-carboxylate
CID 22028286
Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 736490
Phenylmethyl 3-amino-1-piperidinecarboxylate
CID 2756612
Benzyl 4-formylpiperidine-1-carboxylate
CID 2776272

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate (CID 66720608) is [4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate is O=C(OCc1ccc(C(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate?
The InChIKey is QGFYHBZOVRANTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)12-6-4-11(5-7-12)10-20-13(19)18-8-2-1-3-9-18/h4-7H,1-3,8-10H2.
What are the key properties of [4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate?
[4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate is sourced from PubChem (CID 66720608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).