[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate

C14H15ClF3NO3 — CID 66720549

IUPAC[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate
SMILESO=C(OCc1ccc(OC(F)(F)F)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C14H15ClF3NO3/c15-11-8-10(4-5-12(11)22-14(16,17)18)9-21-13(20)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2
InChIKeyWTZSEWUPOTWAND-UHFFFAOYSA-N
MW337.73 g/mol
LogP4.36
Rot. Bonds3

About [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate

[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate (PubChem CID 66720549) has the molecular formula C14H15ClF3NO3 and a molecular weight of 337.73 g/mol. Its IUPAC name is [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate.

Molecular Properties

Compound Name[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate
PubChem CID66720549
Molecular FormulaC14H15ClF3NO3
Molecular Weight337.73 g/mol
Exact Mass337.07
IUPAC Name[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate
SMILESO=C(OCc1ccc(OC(F)(F)F)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C14H15ClF3NO3/c15-11-8-10(4-5-12(11)22-14(16,17)18)9-21-13(20)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2
InChIKeyWTZSEWUPOTWAND-UHFFFAOYSA-N
XLogP4.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-3-(trifluoromethoxy)phenyl]methyl piperazine-1-carboxylate
CID 66720697
[3-chloro-4-(trifluoromethoxy)phenyl]methyl 2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine-5-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carboxylate
CID 118394513
1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine
CID 151114566
[4-(trifluoromethoxy)phenyl]methyl 1,4-diazepane-1-carboxylate
CID 91165580
(4-aminophenyl)methyl piperidine-1-carboxylate
CID 67586124
benzyl piperidine-1-carboxylate
CID 158057698
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
amino 3-[3-chloro-4-(trifluoromethoxy)phenyl]propanoate
CID 174912242
2-[3-chloro-4-(trifluoromethoxy)phenyl]acetaldehyde
CID 146002660
[3-fluoro-5-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate
CID 66720623
1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 123919378
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate?
The IUPAC name of [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate (CID 66720549) is [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate.
What is the SMILES notation for [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate?
The canonical SMILES for [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate is O=C(OCc1ccc(OC(F)(F)F)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate?
The InChIKey is WTZSEWUPOTWAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO3/c15-11-8-10(4-5-12(11)22-14(16,17)18)9-21-13(20)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2.
What are the key properties of [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate?
[3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate has a molecular weight of 337.73 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(trifluoromethoxy)phenyl]methyl piperidine-1-carboxylate is sourced from PubChem (CID 66720549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).