3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine

C11H21F2NO — CID 168881071

IUPAC3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine
SMILESCCC1(CCOC)CN(C)CCC1(F)F
InChIInChI=1S/C11H21F2NO/c1-4-10(6-8-15-3)9-14(2)7-5-11(10,12)13/h4-9H2,1-3H3
InChIKeyBCPHNTBBBSYMSE-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.39
Rot. Bonds4

About 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine

3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine (PubChem CID 168881071) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine.

Molecular Properties

Compound Name3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine
PubChem CID168881071
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine
SMILESCCC1(CCOC)CN(C)CCC1(F)F
InChIInChI=1S/C11H21F2NO/c1-4-10(6-8-15-3)9-14(2)7-5-11(10,12)13/h4-9H2,1-3H3
InChIKeyBCPHNTBBBSYMSE-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Ethoxymethyl)-1-(3-fluoropropyl)-4-methylpiperidine
CID 68275061
4-Fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine
CID 88936124
1-(3-Fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine
CID 122544465
4-(Difluoromethoxymethyl)-1-ethylpiperidine
CID 130226337
4-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
CID 137419205
4-(Difluoromethoxymethyl)-1-(2-methylpropyl)piperidine
CID 137419273
4-(Methoxymethyl)-1-(2,2,2-trifluoroethyl)piperidine
CID 155397546
3-Ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine
CID 168881012
1-[[3,3-Difluoro-1-(methoxymethyl)cyclobutyl]methyl]piperidine;ethane;fluoromethane
CID 177009498
1-[[3,3-Difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine;ethane
CID 177009997
1-[[3,3-Difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-fluoropiperidine
CID 177009998
1-[[3,3-Difluoro-1-(methoxymethyl)cyclobutyl]methyl]-4-methylpiperidine;fluoromethane
CID 177010138

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine?
The IUPAC name of 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine (CID 168881071) is 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine.
What is the SMILES notation for 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine?
The canonical SMILES for 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine is CCC1(CCOC)CN(C)CCC1(F)F.
What is the InChIKey of 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine?
The InChIKey is BCPHNTBBBSYMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-4-10(6-8-15-3)9-14(2)7-5-11(10,12)13/h4-9H2,1-3H3.
What are the key properties of 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine?
3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine has a molecular weight of 221.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-difluoro-3-(2-methoxyethyl)-1-methylpiperidine is sourced from PubChem (CID 168881071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).