(3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine

C13H15F3N4 — CID 174558977

IUPAC(3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine
SMILESFC(F)(F)c1c[nH]c(-n2cnc([C@H]3CCCNC3)c2)c1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)10-4-12(18-6-10)20-7-11(19-8-20)9-2-1-3-17-5-9/h4,6-9,17-18H,1-3,5H2/t9-/m0/s1
InChIKeyCCGWEDZKHCGUGF-VIFPVBQESA-N
MW284.29 g/mol
LogP2.69
Rot. Bonds2

About (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine

(3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine (PubChem CID 174558977) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine
PubChem CID174558977
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name(3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine
SMILESFC(F)(F)c1c[nH]c(-n2cnc([C@H]3CCCNC3)c2)c1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)10-4-12(18-6-10)20-7-11(19-8-20)9-2-1-3-17-5-9/h4,6-9,17-18H,1-3,5H2/t9-/m0/s1
InChIKeyCCGWEDZKHCGUGF-VIFPVBQESA-N
XLogP2.69
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1H-Imidazol-4-yl)-ethyl]-(5-trifluoromethyl-pyridin-2-yl)-amine
CID 10083717
8-cyclohexyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine
CID 58010265
2-[4-(1H-imidazol-4-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 9860966
US11629136, Example 1
CID 167449119
US11629136, Example 15a
CID 168105989
US11629136, Example 16a
CID 167449115
US11629136, Example 2
CID 167449121
US11629136, Example 15
CID 168105893
US11629136, Example 17a
CID 168105919
US11629136, Example 16
CID 168105945
2-(1H-Imidazol-2-yl)-5-(trifluoromethyl)pyridine
CID 123642897
N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 11777900

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine?
The IUPAC name of (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine (CID 174558977) is (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine.
What is the SMILES notation for (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine?
The canonical SMILES for (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine is FC(F)(F)c1c[nH]c(-n2cnc([C@H]3CCCNC3)c2)c1.
What is the InChIKey of (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine?
The InChIKey is CCGWEDZKHCGUGF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)10-4-12(18-6-10)20-7-11(19-8-20)9-2-1-3-17-5-9/h4,6-9,17-18H,1-3,5H2/t9-/m0/s1.
What are the key properties of (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine?
(3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine has a molecular weight of 284.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-[4-(trifluoromethyl)-1H-pyrrol-2-yl]imidazol-4-yl]piperidine is sourced from PubChem (CID 174558977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).