piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate

C13H15F3N2O3 — CID 115565230

IUPACpiperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)OC1CCCNC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)21-10-5-3-9(4-6-10)18-12(19)20-11-2-1-7-17-8-11/h3-6,11,17H,1-2,7-8H2,(H,18,19)
InChIKeyVFMJJUJTIJSVRI-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.89
Rot. Bonds3

About piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate

piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate (PubChem CID 115565230) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Namepiperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
PubChem CID115565230
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Namepiperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)OC1CCCNC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)21-10-5-3-9(4-6-10)18-12(19)20-11-2-1-7-17-8-11/h3-6,11,17H,1-2,7-8H2,(H,18,19)
InChIKeyVFMJJUJTIJSVRI-UHFFFAOYSA-N
XLogP2.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565228
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79338363
2-[4-(trifluoromethoxy)phenyl]ethyl N-[4-[(3R)-pyrrolidin-3-yl]phenyl]carbamate
CID 175718234
pyrrolidin-3-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337084
(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 53235333
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79344499
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate
CID 79345565
N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119464429
N-(4-methoxyphenyl)-2-piperidin-3-yloxyacetamide
CID 43196810

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate (CID 115565230) is piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate is O=C(Nc1ccc(OC(F)(F)F)cc1)OC1CCCNC1.
What is the InChIKey of piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is VFMJJUJTIJSVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)21-10-5-3-9(4-6-10)18-12(19)20-11-2-1-7-17-8-11/h3-6,11,17H,1-2,7-8H2,(H,18,19).
What are the key properties of piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate?
piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 304.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 115565230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).