1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine

C15H27F3N2 — CID 135243839

IUPAC1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine
SMILESCCN1CC(C)CCC1CC1CCCN(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-3-19-10-12(2)6-7-14(19)9-13-5-4-8-20(11-13)15(16,17)18/h12-14H,3-11H2,1-2H3
InChIKeyGUPZPGQDHBOYNA-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.73
Rot. Bonds3

About 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine

1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine (PubChem CID 135243839) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine
PubChem CID135243839
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine
SMILESCCN1CC(C)CCC1CC1CCCN(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-3-19-10-12(2)6-7-14(19)9-13-5-4-8-20(11-13)15(16,17)18/h12-14H,3-11H2,1-2H3
InChIKeyGUPZPGQDHBOYNA-UHFFFAOYSA-N
XLogP3.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine?
The IUPAC name of 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine (CID 135243839) is 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine.
What is the SMILES notation for 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine?
The canonical SMILES for 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine is CCN1CC(C)CCC1CC1CCCN(C(F)(F)F)C1.
What is the InChIKey of 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine?
The InChIKey is GUPZPGQDHBOYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-3-19-10-12(2)6-7-14(19)9-13-5-4-8-20(11-13)15(16,17)18/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine?
1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine has a molecular weight of 292.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-2-[[1-(trifluoromethyl)piperidin-3-yl]methyl]piperidine is sourced from PubChem (CID 135243839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).