3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine

C17H22FN3 — CID 45188344

IUPAC3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
SMILESFc1cccc(CCC2CCCN(Cc3cnc[nH]3)C2)c1
InChIInChI=1S/C17H22FN3/c18-16-5-1-3-14(9-16)6-7-15-4-2-8-21(11-15)12-17-10-19-13-20-17/h1,3,5,9-10,13,15H,2,4,6-8,11-12H2,(H,19,20)
InChIKeyWRBGXZILUDVGEP-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.39
Rot. Bonds5

About 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine

3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine (PubChem CID 45188344) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
PubChem CID45188344
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
SMILESFc1cccc(CCC2CCCN(Cc3cnc[nH]3)C2)c1
InChIInChI=1S/C17H22FN3/c18-16-5-1-3-14(9-16)6-7-15-4-2-8-21(11-15)12-17-10-19-13-20-17/h1,3,5,9-10,13,15H,2,4,6-8,11-12H2,(H,19,20)
InChIKeyWRBGXZILUDVGEP-UHFFFAOYSA-N
XLogP3.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 45249520
3-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 56869553
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
CID 122163567
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97283913
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
(3S)-3-(imidazol-1-ylmethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 99962032
(4aR,8aS)-6-[(3-fluorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133127214
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95542964
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45188597
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45196713
(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 42150617

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine?
The IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine (CID 45188344) is 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine is Fc1cccc(CCC2CCCN(Cc3cnc[nH]3)C2)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine?
The InChIKey is WRBGXZILUDVGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c18-16-5-1-3-14(9-16)6-7-15-4-2-8-21(11-15)12-17-10-19-13-20-17/h1,3,5,9-10,13,15H,2,4,6-8,11-12H2,(H,19,20).
What are the key properties of 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine?
3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine has a molecular weight of 287.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine is sourced from PubChem (CID 45188344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).