4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide

C14H25F3N2O2 — CID 75522549

IUPAC4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)8-11(14(15,16)17)18-12(21)19-6-4-10(9-20)5-7-19/h10-11,20H,4-9H2,1-3H3,(H,18,21)
InChIKeyQGZNJFASYJREEC-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.77
Rot. Bonds3

About 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide (PubChem CID 75522549) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
PubChem CID75522549
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)8-11(14(15,16)17)18-12(21)19-6-4-10(9-20)5-7-19/h10-11,20H,4-9H2,1-3H3,(H,18,21)
InChIKeyQGZNJFASYJREEC-UHFFFAOYSA-N
XLogP2.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide (CID 75522549) is 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide is CC(C)(C)CC(NC(=O)N1CCC(CO)CC1)C(F)(F)F.
What is the InChIKey of 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
The InChIKey is QGZNJFASYJREEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-13(2,3)8-11(14(15,16)17)18-12(21)19-6-4-10(9-20)5-7-19/h10-11,20H,4-9H2,1-3H3,(H,18,21).
What are the key properties of 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75522549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).