benzyl 4-(trifluoromethyl)piperidine-1-carboxylate

C14H16F3NO2 — CID 130161091

IUPACbenzyl 4-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-6-8-18(9-7-12)13(19)20-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyKHHCYSRQEZWEPB-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.60
Rot. Bonds2

About benzyl 4-(trifluoromethyl)piperidine-1-carboxylate

benzyl 4-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 130161091) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is benzyl 4-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID130161091
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Namebenzyl 4-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-6-8-18(9-7-12)13(19)20-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyKHHCYSRQEZWEPB-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl piperazine-1-carboxylate
CID 643495
1-Carbobenzoxy-4-piperidinecarboxylic Acid
CID 736489
Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
Benzyl 3-pyrroline-1-carboxylate
CID 643471
1-Benzyloxycarbonyl-3-piperidone
CID 1514169
4-Cbz-aminopiperidine
CID 1514304
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-aminobutyl(3-aminopropyl)carbamate
CID 389610

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(trifluoromethyl)piperidine-1-carboxylate (CID 130161091) is benzyl 4-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(trifluoromethyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of benzyl 4-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is KHHCYSRQEZWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)12-6-8-18(9-7-12)13(19)20-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of benzyl 4-(trifluoromethyl)piperidine-1-carboxylate?
benzyl 4-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 130161091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).