3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine

C10H18FNO — CID 171550996

IUPAC3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine
SMILESCC1CCN(C2COC2)CC1(C)F
InChIInChI=1S/C10H18FNO/c1-8-3-4-12(7-10(8,2)11)9-5-13-6-9/h8-9H,3-7H2,1-2H3
InChIKeyMHTVVBVWDOITEU-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.46
Rot. Bonds1

About 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine

3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine (PubChem CID 171550996) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine
PubChem CID171550996
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine
SMILESCC1CCN(C2COC2)CC1(C)F
InChIInChI=1S/C10H18FNO/c1-8-3-4-12(7-10(8,2)11)9-5-13-6-9/h8-9H,3-7H2,1-2H3
InChIKeyMHTVVBVWDOITEU-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-Dimethylpentyl)morpholine
CID 15370628
4-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 59343303
4-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 129066643
4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine
CID 129270060
3-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 131199822
4,4-Difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
CID 137391663
4-Fluoro-4-methyl-1-(oxetan-3-yl)piperidine
CID 137512520
3-Ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 138617821
3,3-Difluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 138617857
4-Ethyl-3,3-difluoro-1-(oxetan-3-yl)piperidine
CID 138751967
(3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine
CID 139353778
(3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
CID 140943544

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine?
The IUPAC name of 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine (CID 171550996) is 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine is CC1CCN(C2COC2)CC1(C)F.
What is the InChIKey of 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine?
The InChIKey is MHTVVBVWDOITEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8-3-4-12(7-10(8,2)11)9-5-13-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine?
3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine has a molecular weight of 187.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 171550996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).