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

C11H18FN3 — CID 114533123

IUPAC3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
SMILESCn1ccnc1CCC1(F)CCCNC1
InChIInChI=1S/C11H18FN3/c1-15-8-7-14-10(15)3-5-11(12)4-2-6-13-9-11/h7-8,13H,2-6,9H2,1H3
InChIKeyGXRKBRRQWJKUBA-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.44
Rot. Bonds3

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

3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine (PubChem CID 114533123) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
PubChem CID114533123
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
SMILESCn1ccnc1CCC1(F)CCCNC1
InChIInChI=1S/C11H18FN3/c1-15-8-7-14-10(15)3-5-11(12)4-2-6-13-9-11/h7-8,13H,2-6,9H2,1H3
InChIKeyGXRKBRRQWJKUBA-UHFFFAOYSA-N
XLogP1.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine
CID 112563016
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
CID 114532872
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
CID 114529236
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
3-fluoro-3-propylpiperidine
CID 83815245
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
The IUPAC name of 3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine (CID 114533123) is 3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine.
What is the SMILES notation for 3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
The canonical SMILES for 3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine is Cn1ccnc1CCC1(F)CCCNC1.
What is the InChIKey of 3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
The InChIKey is GXRKBRRQWJKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-15-8-7-14-10(15)3-5-11(12)4-2-6-13-9-11/h7-8,13H,2-6,9H2,1H3.
What are the key properties of 3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine has a molecular weight of 211.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine is sourced from PubChem (CID 114533123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).