4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine

C14H22F3N3 — CID 77084505

IUPAC4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
SMILESCc1nccn1CC1CCN(CC(C)C(F)(F)F)CC1
InChIInChI=1S/C14H22F3N3/c1-11(14(15,16)17)9-19-6-3-13(4-7-19)10-20-8-5-18-12(20)2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3
InChIKeyIGNNBHMICWCGEL-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.10
Rot. Bonds4

About 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine

4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine (PubChem CID 77084505) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
PubChem CID77084505
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
SMILESCc1nccn1CC1CCN(CC(C)C(F)(F)F)CC1
InChIInChI=1S/C14H22F3N3/c1-11(14(15,16)17)9-19-6-3-13(4-7-19)10-20-8-5-18-12(20)2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3
InChIKeyIGNNBHMICWCGEL-UHFFFAOYSA-N
XLogP3.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine (CID 77084505) is 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine is Cc1nccn1CC1CCN(CC(C)C(F)(F)F)CC1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine?
The InChIKey is IGNNBHMICWCGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-11(14(15,16)17)9-19-6-3-13(4-7-19)10-20-8-5-18-12(20)2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine?
4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine has a molecular weight of 289.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine is sourced from PubChem (CID 77084505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).