4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine

C18H33FN2O2 — CID 159458731

IUPAC4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine
SMILESCC1(F)CCN(C2COC2)CC1.CC1CCN(C2COC2)CC1
InChIInChI=1S/C9H16FNO.C9H17NO/c1-9(10)2-4-11(5-3-9)8-6-12-7-8;1-8-2-4-10(5-3-8)9-6-11-7-9/h8H,2-7H2,1H3;8-9H,2-7H2,1H3
InChIKeyLUHVUQSYMQKJDX-UHFFFAOYSA-N
MW328.47 g/mol
LogP2.33
Rot. Bonds2

About 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine

4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine (PubChem CID 159458731) has the molecular formula C18H33FN2O2 and a molecular weight of 328.47 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine
PubChem CID159458731
Molecular FormulaC18H33FN2O2
Molecular Weight328.47 g/mol
Exact Mass328.25
IUPAC Name4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine
SMILESCC1(F)CCN(C2COC2)CC1.CC1CCN(C2COC2)CC1
InChIInChI=1S/C9H16FNO.C9H17NO/c1-9(10)2-4-11(5-3-9)8-6-12-7-8;1-8-2-4-10(5-3-8)9-6-11-7-9/h8H,2-7H2,1H3;8-9H,2-7H2,1H3
InChIKeyLUHVUQSYMQKJDX-UHFFFAOYSA-N
XLogP2.33
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine;4,4-difluoro-3-methyl-1-propan-2-ylpiperidine;ethane
CID 145332669
3-Fluoro-1-[2-methyl-2-[1-(oxetan-3-yl)piperidin-4-yl]propyl]-4-propan-2-ylpiperidine
CID 169564687
4-[2,5-Dimethyl-5-[4-methyl-1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-fluoro-1-(oxetan-3-yl)piperidine
CID 169665915
Ethane;4-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine
CID 145006332
4-Methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]piperidine
CID 145006333
Butane;4-[1-(1-methylpiperidin-4-yl)ethyl]morpholine
CID 145145583
1-(Cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 159227572
Ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-(oxetan-3-yl)piperazine
CID 162741775
Ethane;4-ethyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine
CID 170586343
1-(2-Ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine
CID 176984459
1-(3-Methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
CID 178125087

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine (CID 159458731) is 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine is CC1(F)CCN(C2COC2)CC1.CC1CCN(C2COC2)CC1.
What is the InChIKey of 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine?
The InChIKey is LUHVUQSYMQKJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO.C9H17NO/c1-9(10)2-4-11(5-3-9)8-6-12-7-8;1-8-2-4-10(5-3-8)9-6-11-7-9/h8H,2-7H2,1H3;8-9H,2-7H2,1H3.
What are the key properties of 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine?
4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine has a molecular weight of 328.47 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 159458731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).