2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol

C14H19F3N2O2 — CID 82011418

IUPAC2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol
SMILESNc1ccc(N2CCC(OCCO)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)12-9-10(18)1-2-13(12)19-5-3-11(4-6-19)21-8-7-20/h1-2,9,11,20H,3-8,18H2
InChIKeyBBHFYYAKQSQFEL-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.27
Rot. Bonds4

About 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol

2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol (PubChem CID 82011418) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol
PubChem CID82011418
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol
SMILESNc1ccc(N2CCC(OCCO)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)12-9-10(18)1-2-13(12)19-5-3-11(4-6-19)21-8-7-20/h1-2,9,11,20H,3-8,18H2
InChIKeyBBHFYYAKQSQFEL-UHFFFAOYSA-N
XLogP2.27
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol (CID 82011418) is 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol is Nc1ccc(N2CCC(OCCO)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol?
The InChIKey is BBHFYYAKQSQFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)12-9-10(18)1-2-13(12)19-5-3-11(4-6-19)21-8-7-20/h1-2,9,11,20H,3-8,18H2.
What are the key properties of 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol?
2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol has a molecular weight of 304.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82011418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).