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

C17H21F2N3 — CID 45249520

IUPAC3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
SMILESFc1ccc(CCC2CCCN(Cc3cnc[nH]3)C2)c(F)c1
InChIInChI=1S/C17H21F2N3/c18-15-6-5-14(17(19)8-15)4-3-13-2-1-7-22(10-13)11-16-9-20-12-21-16/h5-6,8-9,12-13H,1-4,7,10-11H2,(H,20,21)
InChIKeyWGHPBRKOKWRHRE-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.53
Rot. Bonds5

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

3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine (PubChem CID 45249520) has the molecular formula C17H21F2N3 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
PubChem CID45249520
Molecular FormulaC17H21F2N3
Molecular Weight305.37 g/mol
Exact Mass305.17
IUPAC Name3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
SMILESFc1ccc(CCC2CCCN(Cc3cnc[nH]3)C2)c(F)c1
InChIInChI=1S/C17H21F2N3/c18-15-6-5-14(17(19)8-15)4-3-13-2-1-7-22(10-13)11-16-9-20-12-21-16/h5-6,8-9,12-13H,1-4,7,10-11H2,(H,20,21)
InChIKeyWGHPBRKOKWRHRE-UHFFFAOYSA-N
XLogP3.53
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 45188344
3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 45195941
2-[[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 56906119
3-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 56906622
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
5-[[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95727440
2-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propane-1,3-diol
CID 95550680
5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95707342
1-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-hydroxyethanone
CID 95550338
(3S)-3-(imidazol-1-ylmethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 99962032
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580437
2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole
CID 95866929

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine?
The IUPAC name of 3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine (CID 45249520) is 3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine is Fc1ccc(CCC2CCCN(Cc3cnc[nH]3)C2)c(F)c1.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine?
The InChIKey is WGHPBRKOKWRHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3/c18-15-6-5-14(17(19)8-15)4-3-13-2-1-7-22(10-13)11-16-9-20-12-21-16/h5-6,8-9,12-13H,1-4,7,10-11H2,(H,20,21).
What are the key properties of 3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine?
3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine has a molecular weight of 305.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine is sourced from PubChem (CID 45249520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).