4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine

C15H17F2N3 — CID 82558361

IUPAC4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine
SMILESFc1ccc(Cc2nccn2C2CCNCC2)c(F)c1
InChIInChI=1S/C15H17F2N3/c16-12-2-1-11(14(17)10-12)9-15-19-7-8-20(15)13-3-5-18-6-4-13/h1-2,7-8,10,13,18H,3-6,9H2
InChIKeyQXHGBVZWZFTBPF-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.68
Rot. Bonds3

About 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine

4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine (PubChem CID 82558361) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine
PubChem CID82558361
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine
SMILESFc1ccc(Cc2nccn2C2CCNCC2)c(F)c1
InChIInChI=1S/C15H17F2N3/c16-12-2-1-11(14(17)10-12)9-15-19-7-8-20(15)13-3-5-18-6-4-13/h1-2,7-8,10,13,18H,3-6,9H2
InChIKeyQXHGBVZWZFTBPF-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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine?
The IUPAC name of 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine (CID 82558361) is 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine.
What is the SMILES notation for 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine?
The canonical SMILES for 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine is Fc1ccc(Cc2nccn2C2CCNCC2)c(F)c1.
What is the InChIKey of 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine?
The InChIKey is QXHGBVZWZFTBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c16-12-2-1-11(14(17)10-12)9-15-19-7-8-20(15)13-3-5-18-6-4-13/h1-2,7-8,10,13,18H,3-6,9H2.
What are the key properties of 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine?
4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-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 4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine is sourced from PubChem (CID 82558361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).