1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine

C14H19F3N2 — CID 55257621

IUPAC1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N2/c1-10(18)11-3-2-8-19(9-11)13-6-4-12(5-7-13)14(15,16)17/h4-7,10-11H,2-3,8-9,18H2,1H3
InChIKeyNGHJWAAFEYAOIS-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.27
Rot. Bonds2

About 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine

1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine (PubChem CID 55257621) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine
PubChem CID55257621
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N2/c1-10(18)11-3-2-8-19(9-11)13-6-4-12(5-7-13)14(15,16)17/h4-7,10-11H,2-3,8-9,18H2,1H3
InChIKeyNGHJWAAFEYAOIS-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine (CID 55257621) is 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine?
The InChIKey is NGHJWAAFEYAOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10(18)11-3-2-8-19(9-11)13-6-4-12(5-7-13)14(15,16)17/h4-7,10-11H,2-3,8-9,18H2,1H3.
What are the key properties of 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine?
1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine has a molecular weight of 272.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 55257621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).