N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

C11H21F3N2 — CID 63132920

IUPACN-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCC1(CN(C)CC(F)(F)F)CCCNC1
InChIInChI=1S/C11H21F3N2/c1-3-10(5-4-6-15-7-10)8-16(2)9-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyKSQCYHBZMCRIAM-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds4

About N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 63132920) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID63132920
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCC1(CN(C)CC(F)(F)F)CCCNC1
InChIInChI=1S/C11H21F3N2/c1-3-10(5-4-6-15-7-10)8-16(2)9-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyKSQCYHBZMCRIAM-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-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (CID 63132920) is N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine is CCC1(CN(C)CC(F)(F)F)CCCNC1.
What is the InChIKey of N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is KSQCYHBZMCRIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-10(5-4-6-15-7-10)8-16(2)9-11(12,13)14/h15H,3-9H2,1-2H3.
What are the key properties of N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine 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-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 63132920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).