1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine

C11H18FN3O — CID 90295811

IUPAC1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine
SMILESCOc1cnc(C2CCN(CCF)CC2)[nH]1
InChIInChI=1S/C11H18FN3O/c1-16-10-8-13-11(14-10)9-2-5-15(6-3-9)7-4-12/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyAQJHSUZIWSOCFP-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.57
Rot. Bonds4

About 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine

1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine (PubChem CID 90295811) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine
PubChem CID90295811
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine
SMILESCOc1cnc(C2CCN(CCF)CC2)[nH]1
InChIInChI=1S/C11H18FN3O/c1-16-10-8-13-11(14-10)9-2-5-15(6-3-9)7-4-12/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyAQJHSUZIWSOCFP-UHFFFAOYSA-N
XLogP1.57
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine (CID 90295811) is 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine is COc1cnc(C2CCN(CCF)CC2)[nH]1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine?
The InChIKey is AQJHSUZIWSOCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-16-10-8-13-11(14-10)9-2-5-15(6-3-9)7-4-12/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine?
1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine has a molecular weight of 227.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 90295811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).