3-fluoro-4-methoxy-1-methylpiperidine

C7H14FNO — CID 66664488

IUPAC3-fluoro-4-methoxy-1-methylpiperidine
SMILESCOC1CCN(C)CC1F
InChIInChI=1S/C7H14FNO/c1-9-4-3-7(10-2)6(8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyDUGCZUQMCBIELB-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.68
Rot. Bonds1

About 3-fluoro-4-methoxy-1-methylpiperidine

3-fluoro-4-methoxy-1-methylpiperidine (PubChem CID 66664488) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-1-methylpiperidine.

Molecular Properties

Compound Name3-fluoro-4-methoxy-1-methylpiperidine
PubChem CID66664488
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-fluoro-4-methoxy-1-methylpiperidine
SMILESCOC1CCN(C)CC1F
InChIInChI=1S/C7H14FNO/c1-9-4-3-7(10-2)6(8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyDUGCZUQMCBIELB-UHFFFAOYSA-N
XLogP0.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Fluoroethyl)piperidin-4-ol
CID 40566262
3-Fluoro-1-methylpiperidin-4-ol
CID 76736291
(3S,4R)-3-Fluoro-4-methoxypiperidine
CID 89025996
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
4,4-Difluoro-1-(3-methoxypropyl)piperidine
CID 21035025
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(3-methoxypropyl)piperidine
CID 57272360
1-Ethyl-3-fluoro-piperidin-4-OL
CID 58266532
1-(3-Fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58364950
(3R,4S)-3-fluoro-1-methylpiperidin-4-ol
CID 58369260
3-Fluoro-1-methyl-4-propan-2-yloxypiperidine
CID 59176306

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-1-methylpiperidine?
The IUPAC name of 3-fluoro-4-methoxy-1-methylpiperidine (CID 66664488) is 3-fluoro-4-methoxy-1-methylpiperidine.
What is the SMILES notation for 3-fluoro-4-methoxy-1-methylpiperidine?
The canonical SMILES for 3-fluoro-4-methoxy-1-methylpiperidine is COC1CCN(C)CC1F.
What is the InChIKey of 3-fluoro-4-methoxy-1-methylpiperidine?
The InChIKey is DUGCZUQMCBIELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-4-3-7(10-2)6(8)5-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-1-methylpiperidine?
3-fluoro-4-methoxy-1-methylpiperidine has a molecular weight of 147.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-1-methylpiperidine is sourced from PubChem (CID 66664488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).