[3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone

C14H23F3N2O2 — CID 110903796

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CC(F)(F)F)C1)N1CCCC(CO)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-5-2-4-12(8-18)13(21)19-6-1-3-11(7-19)9-20/h11-12,20H,1-10H2
InChIKeyBERJSZACIKKAKR-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.49
Rot. Bonds3

About [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone

[3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone (PubChem CID 110903796) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
PubChem CID110903796
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CC(F)(F)F)C1)N1CCCC(CO)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-5-2-4-12(8-18)13(21)19-6-1-3-11(7-19)9-20/h11-12,20H,1-10H2
InChIKeyBERJSZACIKKAKR-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone (CID 110903796) is [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone is O=C(C1CCCN(CC(F)(F)F)C1)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
The InChIKey is BERJSZACIKKAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-18-5-2-4-12(8-18)13(21)19-6-1-3-11(7-19)9-20/h11-12,20H,1-10H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone?
[3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 110903796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).