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

C10H14F3N3 — CID 124710768

IUPAC(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESCn1cc(C(F)(F)F)nc1[C@H]1CCCNC1
InChIInChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m0/s1
InChIKeyZPUMPEAGLZCEBQ-ZETCQYMHSA-N
MW233.24 g/mol
LogP1.91
Rot. Bonds1

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

(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine (PubChem CID 124710768) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is (3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
PubChem CID124710768
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESCn1cc(C(F)(F)F)nc1[C@H]1CCCNC1
InChIInChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m0/s1
InChIKeyZPUMPEAGLZCEBQ-ZETCQYMHSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The IUPAC name of (3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine (CID 124710768) is (3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for (3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The canonical SMILES for (3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine is Cn1cc(C(F)(F)F)nc1[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The InChIKey is ZPUMPEAGLZCEBQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine has a molecular weight of 233.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 124710768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).