3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine

C21H30FN3 — CID 56906309

IUPAC3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine
SMILESCC(C)Cn1cncc1CN1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C21H30FN3/c1-17(2)13-25-16-23-12-21(25)15-24-11-3-4-19(14-24)6-5-18-7-9-20(22)10-8-18/h7-10,12,16-17,19H,3-6,11,13-15H2,1-2H3
InChIKeyGAHAWWPHPAPNQE-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.52
Rot. Bonds7

About 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine

3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine (PubChem CID 56906309) has the molecular formula C21H30FN3 and a molecular weight of 343.49 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine
PubChem CID56906309
Molecular FormulaC21H30FN3
Molecular Weight343.49 g/mol
Exact Mass343.24
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine
SMILESCC(C)Cn1cncc1CN1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C21H30FN3/c1-17(2)13-25-16-23-12-21(25)15-24-11-3-4-19(14-24)6-5-18-7-9-20(22)10-8-18/h7-10,12,16-17,19H,3-6,11,13-15H2,1-2H3
InChIKeyGAHAWWPHPAPNQE-UHFFFAOYSA-N
XLogP4.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(4-fluorophenyl)methyl]-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-propan-2-yl-1,4-diazepane
CID 98771720
3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine
CID 91829440
1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile
CID 135098483
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
CID 83982798
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 95715235
3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 56892042
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776
(2S)-1-[(4-fluorophenyl)methyl]-2-propan-2-yl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-diazepane
CID 95444840
3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine
CID 56880067
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 66119014
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
CID 83982807

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine (CID 56906309) is 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine is CC(C)Cn1cncc1CN1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine?
The InChIKey is GAHAWWPHPAPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3/c1-17(2)13-25-16-23-12-21(25)15-24-11-3-4-19(14-24)6-5-18-7-9-20(22)10-8-18/h7-10,12,16-17,19H,3-6,11,13-15H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine?
3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine has a molecular weight of 343.49 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine is sourced from PubChem (CID 56906309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).