3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine

C14H15F2N3 — CID 43650991

IUPAC3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
SMILESFc1ccc(-c2cnc(C3CCCNC3)[nH]2)cc1F
InChIInChI=1S/C14H15F2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h3-4,6,8,10,17H,1-2,5,7H2,(H,18,19)
InChIKeyDJTDFTBGWJYNRO-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.82
Rot. Bonds2

About 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine

3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine (PubChem CID 43650991) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
PubChem CID43650991
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
SMILESFc1ccc(-c2cnc(C3CCCNC3)[nH]2)cc1F
InChIInChI=1S/C14H15F2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h3-4,6,8,10,17H,1-2,5,7H2,(H,18,19)
InChIKeyDJTDFTBGWJYNRO-UHFFFAOYSA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43651028
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650985
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037
2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine
CID 95846579
3-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 43651004
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 66649801
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol
CID 115037686
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine
CID 59252462
[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51128398

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine (CID 43650991) is 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine is Fc1ccc(-c2cnc(C3CCCNC3)[nH]2)cc1F.
What is the InChIKey of 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is DJTDFTBGWJYNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h3-4,6,8,10,17H,1-2,5,7H2,(H,18,19).
What are the key properties of 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine?
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 263.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 43650991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).