4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine

C10H19F2NO — CID 171831740

IUPAC4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine
SMILESCCN1CCC(OC)(C(C)(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-4-13-7-5-10(14-3,6-8-13)9(2,11)12/h4-8H2,1-3H3
InChIKeySPCFZGLKRWBBAR-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds3

About 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine

4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine (PubChem CID 171831740) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine
PubChem CID171831740
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine
SMILESCCN1CCC(OC)(C(C)(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-4-13-7-5-10(14-3,6-8-13)9(2,11)12/h4-8H2,1-3H3
InChIKeySPCFZGLKRWBBAR-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
4,4-Difluoro-1-(3-methoxypropyl)piperidine
CID 21035025
1-(2,2-Dimethylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 57845663
1-(3,3-Dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
CID 57892085
1-(2,2-Difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58365115
1-Propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 58386313
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218
1-Tert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 58877825
1-Ethyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644735
1-Propyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644948
1-(2-Methylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 70967810
1-(2,2-Dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
CID 71174605

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine?
The IUPAC name of 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine (CID 171831740) is 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine?
The canonical SMILES for 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine is CCN1CCC(OC)(C(C)(F)F)CC1.
What is the InChIKey of 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine?
The InChIKey is SPCFZGLKRWBBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-4-13-7-5-10(14-3,6-8-13)9(2,11)12/h4-8H2,1-3H3.
What are the key properties of 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine?
4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1-ethyl-4-methoxypiperidine is sourced from PubChem (CID 171831740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).