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

C13H15F3N2O2 — CID 79337898

IUPACpiperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OC1CCNCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-2-1-3-10(8-9)18-12(19)20-11-4-6-17-7-5-11/h1-3,8,11,17H,4-7H2,(H,18,19)
InChIKeyMVRQZCCXSGRGQC-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.01
Rot. Bonds2

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

piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 79337898) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID79337898
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Namepiperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OC1CCNCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-2-1-3-10(8-9)18-12(19)20-11-4-6-17-7-5-11/h1-3,8,11,17H,4-7H2,(H,18,19)
InChIKeyMVRQZCCXSGRGQC-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337084
(4-methylpiperidin-3-yl) N-[3-(trifluoromethyl)phenyl]carbamate
CID 102954781
piperidin-4-yl 3-(trifluoromethyl)benzoate
CID 162771690
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305471
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate
CID 79337796
[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate
CID 11884323
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate (CID 79337898) is piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate is O=C(Nc1cccc(C(F)(F)F)c1)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is MVRQZCCXSGRGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)9-2-1-3-10(8-9)18-12(19)20-11-4-6-17-7-5-11/h1-3,8,11,17H,4-7H2,(H,18,19).
What are the key properties of piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate?
piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 288.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 79337898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).