4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine

C15H23F3N4 — CID 123423767

IUPAC4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine
SMILESFC(F)(F)C(Cc1cnc(C2CCNCC2)[nH]1)N1CCCC1
InChIInChI=1S/C15H23F3N4/c16-15(17,18)13(22-7-1-2-8-22)9-12-10-20-14(21-12)11-3-5-19-6-4-11/h10-11,13,19H,1-9H2,(H,20,21)
InChIKeyWPQASYKLDNOSFC-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.45
Rot. Bonds4

About 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine

4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine (PubChem CID 123423767) has the molecular formula C15H23F3N4 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine
PubChem CID123423767
Molecular FormulaC15H23F3N4
Molecular Weight316.37 g/mol
Exact Mass316.19
IUPAC Name4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine
SMILESFC(F)(F)C(Cc1cnc(C2CCNCC2)[nH]1)N1CCCC1
InChIInChI=1S/C15H23F3N4/c16-15(17,18)13(22-7-1-2-8-22)9-12-10-20-14(21-12)11-3-5-19-6-4-11/h10-11,13,19H,1-9H2,(H,20,21)
InChIKeyWPQASYKLDNOSFC-UHFFFAOYSA-N
XLogP2.45
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thioperamide
CID 3035905
Immepip
CID 3035842
(1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 9972056
Methimepip
CID 11313837
4-(1H-imidazol-4-yl)piperidine
CID 10678418
4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 9815231
4-[3-(1h-Imidazol-4-yl)propyl]piperidine
CID 10330240
(1R,2R)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 10374533
4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 10329450
4-((1H-imidazol-4-yl)methyl)-1-heptylpiperidine
CID 44406484
(S)-4-(Pyrrolidin-3-ylmethyl)-1H-imidazole
CID 44367568
alpha,beta-Dimethylhistamine
CID 195530

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine (CID 123423767) is 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine is FC(F)(F)C(Cc1cnc(C2CCNCC2)[nH]1)N1CCCC1.
What is the InChIKey of 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is WPQASYKLDNOSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4/c16-15(17,18)13(22-7-1-2-8-22)9-12-10-20-14(21-12)11-3-5-19-6-4-11/h10-11,13,19H,1-9H2,(H,20,21).
What are the key properties of 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine?
4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 316.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,3,3-trifluoro-2-pyrrolidin-1-ylpropyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 123423767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).