3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine

C12H20FN3 — CID 126794057

IUPAC3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine
SMILESCn1cncc1CCN1CCCC(C)(F)C1
InChIInChI=1S/C12H20FN3/c1-12(13)5-3-6-16(9-12)7-4-11-8-14-10-15(11)2/h8,10H,3-7,9H2,1-2H3
InChIKeySXWVENNBAXJHRO-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.79
Rot. Bonds3

About 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine

3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine (PubChem CID 126794057) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine
PubChem CID126794057
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine
SMILESCn1cncc1CCN1CCCC(C)(F)C1
InChIInChI=1S/C12H20FN3/c1-12(13)5-3-6-16(9-12)7-4-11-8-14-10-15(11)2/h8,10H,3-7,9H2,1-2H3
InChIKeySXWVENNBAXJHRO-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835
2-(1-Isopropyl-1H-imidazol-5-yl)ethanamine
CID 18722276
1-cyclopentyl-5-propyl-1H-imidazole
CID 11819605
1-Cyclopropylmethyl-5-isobutyl-1H-imidazole
CID 10329901
3-Isopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 9855566
2-(5H,6H,7H,8H-imidazo(1,2-a)pyridin-2-yl)ethan-1-amine
CID 21522447
4-(1-methyl-1H-imidazol-5-yl)piperidine
CID 44182357
2-(2-Cyclohexyl-1-methylimidazol-4-yl)ethanamine
CID 44292153
2-(2-Tert-butyl-1-methylimidazol-4-yl)ethanamine
CID 44292159
2-[1-Methyl-2-(propan-2-yl)-1H-imidazol-4-yl]ethan-1-amine
CID 44292160
1-Cyclopropyl-5-(2,2-dimethyl-propyl)-1H-imidazole
CID 44345726
1-Cyclopropylmethyl-5-propyl-1H-imidazole
CID 44345898

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine?
The IUPAC name of 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine (CID 126794057) is 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine?
The canonical SMILES for 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine is Cn1cncc1CCN1CCCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine?
The InChIKey is SXWVENNBAXJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-12(13)5-3-6-16(9-12)7-4-11-8-14-10-15(11)2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine?
3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 126794057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).