1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine

C12H20FN3 — CID 126791966

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine
SMILESCCn1cncc1CN1CCCC(C)(F)C1
InChIInChI=1S/C12H20FN3/c1-3-16-10-14-7-11(16)8-15-6-4-5-12(2,13)9-15/h7,10H,3-6,8-9H2,1-2H3
InChIKeyBQIOQNQOQREGBO-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.23
Rot. Bonds3

About 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine

1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine (PubChem CID 126791966) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine
PubChem CID126791966
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine
SMILESCCn1cncc1CN1CCCC(C)(F)C1
InChIInChI=1S/C12H20FN3/c1-3-16-10-14-7-11(16)8-15-6-4-5-12(2,13)9-15/h7,10H,3-6,8-9H2,1-2H3
InChIKeyBQIOQNQOQREGBO-UHFFFAOYSA-N
XLogP2.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine (CID 126791966) is 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine is CCn1cncc1CN1CCCC(C)(F)C1.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine?
The InChIKey is BQIOQNQOQREGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-3-16-10-14-7-11(16)8-15-6-4-5-12(2,13)9-15/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine?
1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine has a molecular weight of 225.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 126791966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).