3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine

C10H16FN3 — CID 130509532

IUPAC3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine
SMILESCn1cnc(C(F)C2CCCNC2)c1
InChIInChI=1S/C10H16FN3/c1-14-6-9(13-7-14)10(11)8-3-2-4-12-5-8/h6-8,10,12H,2-5H2,1H3
InChIKeyWYVDDRVMBMKLKH-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.43
Rot. Bonds2

About 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine

3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine (PubChem CID 130509532) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine
PubChem CID130509532
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine
SMILESCn1cnc(C(F)C2CCCNC2)c1
InChIInChI=1S/C10H16FN3/c1-14-6-9(13-7-14)10(11)8-3-2-4-12-5-8/h6-8,10,12H,2-5H2,1H3
InChIKeyWYVDDRVMBMKLKH-UHFFFAOYSA-N
XLogP1.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine?
The IUPAC name of 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine (CID 130509532) is 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine is Cn1cnc(C(F)C2CCCNC2)c1.
What is the InChIKey of 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine?
The InChIKey is WYVDDRVMBMKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-14-6-9(13-7-14)10(11)8-3-2-4-12-5-8/h6-8,10,12H,2-5H2,1H3.
What are the key properties of 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine?
3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine has a molecular weight of 197.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(1-methylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 130509532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).