(3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine

C8H16FNO — CID 89026079

IUPAC(3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine
SMILESCCO[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C8H16FNO/c1-3-11-8-4-5-10(2)6-7(8)9/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyKOMFPJLDDYYUBX-JGVFFNPUSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds2

About (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine

(3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine (PubChem CID 89026079) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name(3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine
PubChem CID89026079
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine
SMILESCCO[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C8H16FNO/c1-3-11-8-4-5-10(2)6-7(8)9/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyKOMFPJLDDYYUBX-JGVFFNPUSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-(18F)fluoroethyl)piperidin-4-yl] acetate
CID 450034
[1-(2-Fluoroethyl)piperidin-4-yl] acetate
CID 10081206
Propoxypropylpiperidine
CID 89998359
1-Methyl-4-(2,2,2-trifluoroethoxy)piperidine
CID 18722957
1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine
CID 18725560
4,4-Difluoro-1-(3-methoxypropyl)piperidine
CID 21035025
1-Ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine
CID 58303663
1-(3-Fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58364950
1-(2,2-Difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58365115

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine?
The IUPAC name of (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine (CID 89026079) is (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine.
What is the SMILES notation for (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine?
The canonical SMILES for (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine is CCO[C@@H]1CCN(C)C[C@@H]1F.
What is the InChIKey of (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine?
The InChIKey is KOMFPJLDDYYUBX-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-11-8-4-5-10(2)6-7(8)9/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine?
(3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine is sourced from PubChem (CID 89026079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).