N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine

C11H21F3N2 — CID 43307305

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCN1CCCC(C(C)NCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-3-16-6-4-5-10(7-16)9(2)15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyHLPOCFAXTVAYRY-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds4

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine

N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 43307305) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID43307305
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCN1CCCC(C(C)NCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-3-16-6-4-5-10(7-16)9(2)15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyHLPOCFAXTVAYRY-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine (CID 43307305) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine is CCN1CCCC(C(C)NCC(F)(F)F)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is HLPOCFAXTVAYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-16-6-4-5-10(7-16)9(2)15-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43307305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).