4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine

C14H18FN3 — CID 118297224

IUPAC4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine
SMILESFC1C=CC=C(c2cn(C3CCNCC3)cn2)C1
InChIInChI=1S/C14H18FN3/c15-12-3-1-2-11(8-12)14-9-18(10-17-14)13-4-6-16-7-5-13/h1-3,9-10,12-13,16H,4-8H2
InChIKeyDDDWJVYVNGEGJU-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.49
Rot. Bonds2

About 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine

4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine (PubChem CID 118297224) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine
PubChem CID118297224
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine
SMILESFC1C=CC=C(c2cn(C3CCNCC3)cn2)C1
InChIInChI=1S/C14H18FN3/c15-12-3-1-2-11(8-12)14-9-18(10-17-14)13-4-6-16-7-5-13/h1-3,9-10,12-13,16H,4-8H2
InChIKeyDDDWJVYVNGEGJU-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine
CID 11336692
Piperidine, 4-(1H-imidazol-4-ylmethylene)-
CID 11788475
1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine
CID 11223503
4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine
CID 11291550
1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine
CID 11416895
4-(1h-Imidazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 24729202
(3E)-3-(1H-imidazol-5-ylmethylidene)piperidine
CID 44211096
2-[[4-[3-(Difluoromethyl)-4-fluorocyclohexa-1,5-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]methyl]-1-methylpiperidine
CID 70886626
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-(5-methylimidazol-1-yl)propan-1-amine
CID 71168011
3-[4-[2-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-7-methylidene-8H-imidazo[1,2-a]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 87057977
4-[4-(4-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 89442663
1-[2-[4-[5-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2-piperidin-4-ylimidazol-1-yl]ethyl]piperidine
CID 89442761

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine?
The IUPAC name of 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine (CID 118297224) is 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine?
The canonical SMILES for 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine is FC1C=CC=C(c2cn(C3CCNCC3)cn2)C1.
What is the InChIKey of 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine?
The InChIKey is DDDWJVYVNGEGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c15-12-3-1-2-11(8-12)14-9-18(10-17-14)13-4-6-16-7-5-13/h1-3,9-10,12-13,16H,4-8H2.
What are the key properties of 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine?
4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine has a molecular weight of 247.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluorocyclohexa-1,3-dien-1-yl)imidazol-1-yl]piperidine is sourced from PubChem (CID 118297224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).