N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine

C15H21F3N2 — CID 68523663

IUPACN-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine
SMILESCCCNN1CCCC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-2-9-19-20-10-5-6-12(11-20)13-7-3-4-8-14(13)15(16,17)18/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3
InChIKeyXUAPBXJPYWNEJJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.80
Rot. Bonds4

About N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine

N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine (PubChem CID 68523663) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine.

Molecular Properties

Compound NameN-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine
PubChem CID68523663
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine
SMILESCCCNN1CCCC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-2-9-19-20-10-5-6-12(11-20)13-7-3-4-8-14(13)15(16,17)18/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3
InChIKeyXUAPBXJPYWNEJJ-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine?
The IUPAC name of N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine (CID 68523663) is N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine.
What is the SMILES notation for N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine?
The canonical SMILES for N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine is CCCNN1CCCC(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine?
The InChIKey is XUAPBXJPYWNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-9-19-20-10-5-6-12(11-20)13-7-3-4-8-14(13)15(16,17)18/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3.
What are the key properties of N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine?
N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine has a molecular weight of 286.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[2-(trifluoromethyl)phenyl]piperidin-1-amine is sourced from PubChem (CID 68523663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).