1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine

C16H19F2N3 — CID 90493839

IUPAC1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine
SMILESFc1ccc(F)c(CN2CCC(Cn3ccnc3)CC2)c1
InChIInChI=1S/C16H19F2N3/c17-15-1-2-16(18)14(9-15)11-20-6-3-13(4-7-20)10-21-8-5-19-12-21/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2
InChIKeyPGJVMUZCOHFLAE-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.07
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine

1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine (PubChem CID 90493839) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine
PubChem CID90493839
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine
SMILESFc1ccc(F)c(CN2CCC(Cn3ccnc3)CC2)c1
InChIInChI=1S/C16H19F2N3/c17-15-1-2-16(18)14(9-15)11-20-6-3-13(4-7-20)10-21-8-5-19-12-21/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2
InChIKeyPGJVMUZCOHFLAE-UHFFFAOYSA-N
XLogP3.07
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-methylindole
CID 77088430
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
3-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940725
4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
CID 90493809
2-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 171690440
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901
N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593627
N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493771
1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole
CID 77097362
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928
1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
CID 63846321
5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 131892163

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine (CID 90493839) is 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine is Fc1ccc(F)c(CN2CCC(Cn3ccnc3)CC2)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine?
The InChIKey is PGJVMUZCOHFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c17-15-1-2-16(18)14(9-15)11-20-6-3-13(4-7-20)10-21-8-5-19-12-21/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine?
1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine has a molecular weight of 291.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine is sourced from PubChem (CID 90493839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).