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

C12H15F3N2 — CID 23161764

IUPAC1-[3-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESNC1CCCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-3-1-5-11(7-9)17-6-2-4-10(16)8-17/h1,3,5,7,10H,2,4,6,8,16H2
InChIKeyKDKFBVLCXICBJE-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.63
Rot. Bonds1

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

1-[3-(trifluoromethyl)phenyl]piperidin-3-amine (PubChem CID 23161764) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]piperidin-3-amine
PubChem CID23161764
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-[3-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESNC1CCCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-3-1-5-11(7-9)17-6-2-4-10(16)8-17/h1,3,5,7,10H,2,4,6,8,16H2
InChIKeyKDKFBVLCXICBJE-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperidin-3-amine (CID 23161764) is 1-[3-(trifluoromethyl)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]piperidin-3-amine is NC1CCCN(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
The InChIKey is KDKFBVLCXICBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)9-3-1-5-11(7-9)17-6-2-4-10(16)8-17/h1,3,5,7,10H,2,4,6,8,16H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
1-[3-(trifluoromethyl)phenyl]piperidin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 23161764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).