(2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate

C19H19F3N2O3 — CID 2732845

IUPAC(2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Oc1ccccc1N1CCCCC1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)27-15-10-8-14(9-11-15)23-18(25)26-17-7-3-2-6-16(17)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H,23,25)
InChIKeyNSJJLKSWQVDBPB-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.19
Rot. Bonds4

About (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate

(2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate (PubChem CID 2732845) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Name(2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate
PubChem CID2732845
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name(2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Oc1ccccc1N1CCCCC1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)27-15-10-8-14(9-11-15)23-18(25)26-17-7-3-2-6-16(17)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H,23,25)
InChIKeyNSJJLKSWQVDBPB-UHFFFAOYSA-N
XLogP5.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate (CID 2732845) is (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate is O=C(Nc1ccc(OC(F)(F)F)cc1)Oc1ccccc1N1CCCCC1.
What is the InChIKey of (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is NSJJLKSWQVDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)27-15-10-8-14(9-11-15)23-18(25)26-17-7-3-2-6-16(17)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H,23,25).
What are the key properties of (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate?
(2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 380.37 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ylphenyl) N-[4-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 2732845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).