3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine

C12H20FN3 — CID 112564988

IUPAC3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine
SMILESCn1ccnc1CC(C)(F)C1CCCNC1
InChIInChI=1S/C12H20FN3/c1-12(13,10-4-3-5-14-9-10)8-11-15-6-7-16(11)2/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyVMIUZAQYOWAJMP-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.69
Rot. Bonds3

About 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine

3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine (PubChem CID 112564988) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine.

Molecular Properties

Compound Name3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine
PubChem CID112564988
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine
SMILESCn1ccnc1CC(C)(F)C1CCCNC1
InChIInChI=1S/C12H20FN3/c1-12(13,10-4-3-5-14-9-10)8-11-15-6-7-16(11)2/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyVMIUZAQYOWAJMP-UHFFFAOYSA-N
XLogP1.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
CID 79743754
4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one
CID 114533376
2-(2-fluoro-2-piperidin-3-ylpropyl)pyridine
CID 112564766
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 105411746
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine
CID 112564880
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine?
The IUPAC name of 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine (CID 112564988) is 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine.
What is the SMILES notation for 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine?
The canonical SMILES for 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine is Cn1ccnc1CC(C)(F)C1CCCNC1.
What is the InChIKey of 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine?
The InChIKey is VMIUZAQYOWAJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-12(13,10-4-3-5-14-9-10)8-11-15-6-7-16(11)2/h6-7,10,14H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine?
3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine is sourced from PubChem (CID 112564988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).