4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine

C17H22FN3 — CID 123621642

IUPAC4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine
SMILESCC(C1=CC=C(F)CC1)n1cncc1C=C1CCNCC1
InChIInChI=1S/C17H22FN3/c1-13(15-2-4-16(18)5-3-15)21-12-20-11-17(21)10-14-6-8-19-9-7-14/h2,4,10-13,19H,3,5-9H2,1H3
InChIKeyUXWHPWYFYWWWRT-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.78
Rot. Bonds3

About 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine

4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine (PubChem CID 123621642) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine.

Molecular Properties

Compound Name4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine
PubChem CID123621642
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine
SMILESCC(C1=CC=C(F)CC1)n1cncc1C=C1CCNCC1
InChIInChI=1S/C17H22FN3/c1-13(15-2-4-16(18)5-3-15)21-12-20-11-17(21)10-14-6-8-19-9-7-14/h2,4,10-13,19H,3,5-9H2,1H3
InChIKeyUXWHPWYFYWWWRT-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine?
The IUPAC name of 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine (CID 123621642) is 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine.
What is the SMILES notation for 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine?
The canonical SMILES for 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine is CC(C1=CC=C(F)CC1)n1cncc1C=C1CCNCC1.
What is the InChIKey of 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine?
The InChIKey is UXWHPWYFYWWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(15-2-4-16(18)5-3-15)21-12-20-11-17(21)10-14-6-8-19-9-7-14/h2,4,10-13,19H,3,5-9H2,1H3.
What are the key properties of 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine?
4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine has a molecular weight of 287.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]imidazol-4-yl]methylidene]piperidine is sourced from PubChem (CID 123621642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).