5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine

C14H19F3N2 — CID 79992664

IUPAC5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine
SMILESCC1CC(N)CN(C(c2ccccc2)C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2/c1-10-7-12(18)9-19(8-10)13(14(15,16)17)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,18H2,1H3
InChIKeySRKIBJXYQVFYNX-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.96
Rot. Bonds2

About 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine

5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine (PubChem CID 79992664) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine
PubChem CID79992664
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine
SMILESCC1CC(N)CN(C(c2ccccc2)C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2/c1-10-7-12(18)9-19(8-10)13(14(15,16)17)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,18H2,1H3
InChIKeySRKIBJXYQVFYNX-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine (CID 79992664) is 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine is CC1CC(N)CN(C(c2ccccc2)C(F)(F)F)C1.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine?
The InChIKey is SRKIBJXYQVFYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10-7-12(18)9-19(8-10)13(14(15,16)17)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,18H2,1H3.
What are the key properties of 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine?
5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine has a molecular weight of 272.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoro-1-phenylethyl)piperidin-3-amine is sourced from PubChem (CID 79992664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).