4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide

C15H27F3N2O2 — CID 75443053

IUPAC4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide
SMILESCC(C)CC(C)(C)CNC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2O2/c1-11(2)9-13(3,4)10-19-12(21)20-7-5-14(22,6-8-20)15(16,17)18/h11,22H,5-10H2,1-4H3,(H,19,21)
InChIKeyZSBJAUIYFFRNRX-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.16
Rot. Bonds4

About 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide

4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide (PubChem CID 75443053) has the molecular formula C15H27F3N2O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide
PubChem CID75443053
Molecular FormulaC15H27F3N2O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC Name4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide
SMILESCC(C)CC(C)(C)CNC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2O2/c1-11(2)9-13(3,4)10-19-12(21)20-7-5-14(22,6-8-20)15(16,17)18/h11,22H,5-10H2,1-4H3,(H,19,21)
InChIKeyZSBJAUIYFFRNRX-UHFFFAOYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide (CID 75443053) is 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide is CC(C)CC(C)(C)CNC(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide?
The InChIKey is ZSBJAUIYFFRNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O2/c1-11(2)9-13(3,4)10-19-12(21)20-7-5-14(22,6-8-20)15(16,17)18/h11,22H,5-10H2,1-4H3,(H,19,21).
What are the key properties of 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide?
4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide is sourced from PubChem (CID 75443053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).