3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C9H15F3N2O2 — CID 110896387

IUPAC3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14-3-1-2-7(4-14)5-15/h7,15H,1-6H2,(H,13,16)
InChIKeyWGKCPDHHCVJGPZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.96
Rot. Bonds2

About 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 110896387) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID110896387
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14-3-1-2-7(4-14)5-15/h7,15H,1-6H2,(H,13,16)
InChIKeyWGKCPDHHCVJGPZ-UHFFFAOYSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 110896387) is 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is WGKCPDHHCVJGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14-3-1-2-7(4-14)5-15/h7,15H,1-6H2,(H,13,16).
What are the key properties of 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110896387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).