3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine

C15H17F2N3 — CID 114704736

IUPAC3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
SMILESFc1ccc(Cn2cncc2C2CCCNC2)cc1F
InChIInChI=1S/C15H17F2N3/c16-13-4-3-11(6-14(13)17)9-20-10-19-8-15(20)12-2-1-5-18-7-12/h3-4,6,8,10,12,18H,1-2,5,7,9H2
InChIKeyRPGKPQVFHMHSOY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.68
Rot. Bonds3

About 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine

3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine (PubChem CID 114704736) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
PubChem CID114704736
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
SMILESFc1ccc(Cn2cncc2C2CCCNC2)cc1F
InChIInChI=1S/C15H17F2N3/c16-13-4-3-11(6-14(13)17)9-20-10-19-8-15(20)12-2-1-5-18-7-12/h3-4,6,8,10,12,18H,1-2,5,7,9H2
InChIKeyRPGKPQVFHMHSOY-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
CID 114720616
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979
5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 114716457
3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 114705195
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114706130
5-cyclopropyl-1-[(4-fluorophenyl)methyl]imidazole
CID 116811649
2-[(3,4-difluorophenyl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95558845
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
3-(3-butylimidazol-4-yl)piperidine
CID 114702793

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine (CID 114704736) is 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine is Fc1ccc(Cn2cncc2C2CCCNC2)cc1F.
What is the InChIKey of 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine?
The InChIKey is RPGKPQVFHMHSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c16-13-4-3-11(6-14(13)17)9-20-10-19-8-15(20)12-2-1-5-18-7-12/h3-4,6,8,10,12,18H,1-2,5,7,9H2.
What are the key properties of 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine?
3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine has a molecular weight of 277.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114704736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).