N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

C14H19F3N2O — CID 106633280

IUPACN-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCC1CCCCN1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)10-20-13-7-2-1-6-12(13)19-9-11-5-3-4-8-18-11/h1-2,6-7,11,18-19H,3-5,8-10H2
InChIKeyISDVQUONOPVVFQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.18
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 106633280) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID106633280
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCC1CCCCN1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)10-20-13-7-2-1-6-12(13)19-9-11-5-3-4-8-18-11/h1-2,6-7,11,18-19H,3-5,8-10H2
InChIKeyISDVQUONOPVVFQ-UHFFFAOYSA-N
XLogP3.18
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (CID 106633280) is N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1ccccc1NCC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is ISDVQUONOPVVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)10-20-13-7-2-1-6-12(13)19-9-11-5-3-4-8-18-11/h1-2,6-7,11,18-19H,3-5,8-10H2.
What are the key properties of N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 288.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 106633280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).