1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine

C14H19F3N2O — CID 64565952

IUPAC1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2cccc(OCCC(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)6-9-20-13-3-1-2-12(10-13)19-7-4-11(18)5-8-19/h1-3,10-11H,4-9,18H2
InChIKeyHHXIQBRCHWPGIM-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.95
Rot. Bonds4

About 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine

1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine (PubChem CID 64565952) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine
PubChem CID64565952
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2cccc(OCCC(F)(F)F)c2)CC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)6-9-20-13-3-1-2-12(10-13)19-7-4-11(18)5-8-19/h1-3,10-11H,4-9,18H2
InChIKeyHHXIQBRCHWPGIM-UHFFFAOYSA-N
XLogP2.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine (CID 64565952) is 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine is NC1CCN(c2cccc(OCCC(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine?
The InChIKey is HHXIQBRCHWPGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)6-9-20-13-3-1-2-12(10-13)19-7-4-11(18)5-8-19/h1-3,10-11H,4-9,18H2.
What are the key properties of 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine?
1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 64565952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).