1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine

C15H21F3N2O — CID 64566158

IUPAC1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine
SMILESCc1ccc(OCCC(F)(F)F)c(N2CCCC(N)C2)c1
InChIInChI=1S/C15H21F3N2O/c1-11-4-5-14(21-8-6-15(16,17)18)13(9-11)20-7-2-3-12(19)10-20/h4-5,9,12H,2-3,6-8,10,19H2,1H3
InChIKeyLGDNOVZSWFEXFW-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.25
Rot. Bonds4

About 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine

1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine (PubChem CID 64566158) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine
PubChem CID64566158
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine
SMILESCc1ccc(OCCC(F)(F)F)c(N2CCCC(N)C2)c1
InChIInChI=1S/C15H21F3N2O/c1-11-4-5-14(21-8-6-15(16,17)18)13(9-11)20-7-2-3-12(19)10-20/h4-5,9,12H,2-3,6-8,10,19H2,1H3
InChIKeyLGDNOVZSWFEXFW-UHFFFAOYSA-N
XLogP3.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine?
The IUPAC name of 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine (CID 64566158) is 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine?
The canonical SMILES for 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine is Cc1ccc(OCCC(F)(F)F)c(N2CCCC(N)C2)c1.
What is the InChIKey of 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine?
The InChIKey is LGDNOVZSWFEXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-4-5-14(21-8-6-15(16,17)18)13(9-11)20-7-2-3-12(19)10-20/h4-5,9,12H,2-3,6-8,10,19H2,1H3.
What are the key properties of 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine?
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine has a molecular weight of 302.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine is sourced from PubChem (CID 64566158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).