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

C14H16ClF2N3 — CID 90169798

IUPAC4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
SMILESCl.Fc1ccc(-c2cnc(C3CCNCC3)[nH]2)c(F)c1
InChIInChI=1S/C14H15F2N3.ClH/c15-10-1-2-11(12(16)7-10)13-8-18-14(19-13)9-3-5-17-6-4-9;/h1-2,7-9,17H,3-6H2,(H,18,19);1H
InChIKeyNDEZFBWIZJGTJU-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.24
Rot. Bonds2

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

4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride (PubChem CID 90169798) has the molecular formula C14H16ClF2N3 and a molecular weight of 299.75 g/mol. Its IUPAC name is 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
PubChem CID90169798
Molecular FormulaC14H16ClF2N3
Molecular Weight299.75 g/mol
Exact Mass299.10
IUPAC Name4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
SMILESCl.Fc1ccc(-c2cnc(C3CCNCC3)[nH]2)c(F)c1
InChIInChI=1S/C14H15F2N3.ClH/c15-10-1-2-11(12(16)7-10)13-8-18-14(19-13)9-3-5-17-6-4-9;/h1-2,7-9,17H,3-6H2,(H,18,19);1H
InChIKeyNDEZFBWIZJGTJU-UHFFFAOYSA-N
XLogP3.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride?
The IUPAC name of 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride (CID 90169798) is 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride is Cl.Fc1ccc(-c2cnc(C3CCNCC3)[nH]2)c(F)c1.
What is the InChIKey of 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride?
The InChIKey is NDEZFBWIZJGTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3.ClH/c15-10-1-2-11(12(16)7-10)13-8-18-14(19-13)9-3-5-17-6-4-9;/h1-2,7-9,17H,3-6H2,(H,18,19);1H.
What are the key properties of 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride?
4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride has a molecular weight of 299.75 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride is sourced from PubChem (CID 90169798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).