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

C14H19F3N2 — CID 63636998

IUPACN-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESCCN(c1ccccc1C(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H19F3N2/c1-2-19(11-6-5-9-18-10-11)13-8-4-3-7-12(13)14(15,16)17/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3
InChIKeyLANXVFGSVVWYRQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.28
Rot. Bonds3

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

N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine (PubChem CID 63636998) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
PubChem CID63636998
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESCCN(c1ccccc1C(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H19F3N2/c1-2-19(11-6-5-9-18-10-11)13-8-4-3-7-12(13)14(15,16)17/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3
InChIKeyLANXVFGSVVWYRQ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine?
The IUPAC name of N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine (CID 63636998) is N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine is CCN(c1ccccc1C(F)(F)F)C1CCCNC1.
What is the InChIKey of N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine?
The InChIKey is LANXVFGSVVWYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-19(11-6-5-9-18-10-11)13-8-4-3-7-12(13)14(15,16)17/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3.
What are the key properties of N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine?
N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine has a molecular weight of 272.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 63636998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).