4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine

C26H52F3N3O3 — CID 143876529

IUPAC4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine
SMILESCCC1(OC)CCN(C)CC1.CCOC1(C)CCN(C)CC1.CN1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/2C9H19NO.C8H14F3NO/c1-4-9(11-3)5-7-10(2)8-6-9;1-4-11-9(2)5-7-10(3)8-6-9;1-12-4-2-7(3-5-12)13-6-8(9,10)11/h2*4-8H2,1-3H3;7H,2-6H2,1H3
InChIKeyKBHZFEHHWZKLCK-UHFFFAOYSA-N
MW511.71 g/mol
LogP4.67
Rot. Bonds6

About 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine

4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine (PubChem CID 143876529) has the molecular formula C26H52F3N3O3 and a molecular weight of 511.71 g/mol. Its IUPAC name is 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine.

Molecular Properties

Compound Name4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine
PubChem CID143876529
Molecular FormulaC26H52F3N3O3
Molecular Weight511.71 g/mol
Exact Mass511.40
IUPAC Name4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine
SMILESCCC1(OC)CCN(C)CC1.CCOC1(C)CCN(C)CC1.CN1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/2C9H19NO.C8H14F3NO/c1-4-9(11-3)5-7-10(2)8-6-9;1-4-11-9(2)5-7-10(3)8-6-9;1-12-4-2-7(3-5-12)13-6-8(9,10)11/h2*4-8H2,1-3H3;7H,2-6H2,1H3
InChIKeyKBHZFEHHWZKLCK-UHFFFAOYSA-N
XLogP4.67
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.71
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine?
The IUPAC name of 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine (CID 143876529) is 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine.
What is the SMILES notation for 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine?
The canonical SMILES for 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine is CCC1(OC)CCN(C)CC1.CCOC1(C)CCN(C)CC1.CN1CCC(OCC(F)(F)F)CC1.
What is the InChIKey of 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine?
The InChIKey is KBHZFEHHWZKLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19NO.C8H14F3NO/c1-4-9(11-3)5-7-10(2)8-6-9;1-4-11-9(2)5-7-10(3)8-6-9;1-12-4-2-7(3-5-12)13-6-8(9,10)11/h2*4-8H2,1-3H3;7H,2-6H2,1H3.
What are the key properties of 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine?
4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine has a molecular weight of 511.71 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine is sourced from PubChem (CID 143876529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).