[3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine

C11H21FN2O — CID 171551596

IUPAC[3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine
SMILESCC1(F)CN(C2(C)COC2)CCC1CN
InChIInChI=1S/C11H21FN2O/c1-10(7-15-8-10)14-4-3-9(5-13)11(2,12)6-14/h9H,3-8,13H2,1-2H3
InChIKeyMQMJDQHNAXGIMG-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.78
Rot. Bonds2

About [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine

[3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine (PubChem CID 171551596) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine
PubChem CID171551596
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name[3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine
SMILESCC1(F)CN(C2(C)COC2)CCC1CN
InChIInChI=1S/C11H21FN2O/c1-10(7-15-8-10)14-4-3-9(5-13)11(2,12)6-14/h9H,3-8,13H2,1-2H3
InChIKeyMQMJDQHNAXGIMG-UHFFFAOYSA-N
XLogP0.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 145316268
(3S,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740921
(3S,4R)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740924
(3R,4R)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740932
(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 164740933
4-Fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 169805057
1-[4-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-N-methylmethanamine
CID 169902015
3-Fluoro-3,4-dimethyl-1-(oxetan-3-yl)piperidine
CID 171550996
(3S,4S)-3-fluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine
CID 172361692
3-Fluoro-1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine
CID 178124997
(3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-amine
CID 178125144
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
CID 178125352

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine?
The IUPAC name of [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine (CID 171551596) is [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine is CC1(F)CN(C2(C)COC2)CCC1CN.
What is the InChIKey of [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine?
The InChIKey is MQMJDQHNAXGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-10(7-15-8-10)14-4-3-9(5-13)11(2,12)6-14/h9H,3-8,13H2,1-2H3.
What are the key properties of [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine?
[3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine has a molecular weight of 216.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-3-methyl-1-(3-methyloxetan-3-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 171551596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).