1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine

C13H17F3N2 — CID 59438498

IUPAC1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESCN1CCCC(N)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H17F3N2/c1-18-7-3-6-12(17,9-18)10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8H,3,6-7,9,17H2,1H3
InChIKeyWCSCLDOSBPPLHF-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.59
Rot. Bonds1

About 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine

1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine (PubChem CID 59438498) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine
PubChem CID59438498
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESCN1CCCC(N)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H17F3N2/c1-18-7-3-6-12(17,9-18)10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8H,3,6-7,9,17H2,1H3
InChIKeyWCSCLDOSBPPLHF-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine (CID 59438498) is 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine is CN1CCCC(N)(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
The InChIKey is WCSCLDOSBPPLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-18-7-3-6-12(17,9-18)10-4-2-5-11(8-10)13(14,15)16/h2,4-5,8H,3,6-7,9,17H2,1H3.
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine has a molecular weight of 258.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 59438498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).