1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

C13H24F3NO — CID 170588903

IUPAC1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCCOCCN1CCC(C(C)C)(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-4-18-10-9-17-7-5-12(6-8-17,11(2)3)13(14,15)16/h11H,4-10H2,1-3H3
InChIKeyHQZRRLRVZPEDHZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.32
Rot. Bonds5

About 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 170588903) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID170588903
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCCOCCN1CCC(C(C)C)(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-4-18-10-9-17-7-5-12(6-8-17,11(2)3)13(14,15)16/h11H,4-10H2,1-3H3
InChIKeyHQZRRLRVZPEDHZ-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (CID 170588903) is 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is CCOCCN1CCC(C(C)C)(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is HQZRRLRVZPEDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-4-18-10-9-17-7-5-12(6-8-17,11(2)3)13(14,15)16/h11H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 267.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170588903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).