[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

C14H20F3N3O2 — CID 70743043

IUPAC[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCCCC1(CO)CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
InChIInChI=1S/C14H20F3N3O2/c1-2-4-13(9-21)5-3-6-20(8-13)12(22)10-7-11(19-18-10)14(15,16)17/h7,21H,2-6,8-9H2,1H3,(H,18,19)
InChIKeyYSWILIGFECSLRB-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.44
Rot. Bonds4

About [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 70743043) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID70743043
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESCCCC1(CO)CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1
InChIInChI=1S/C14H20F3N3O2/c1-2-4-13(9-21)5-3-6-20(8-13)12(22)10-7-11(19-18-10)14(15,16)17/h7,21H,2-6,8-9H2,1H3,(H,18,19)
InChIKeyYSWILIGFECSLRB-UHFFFAOYSA-N
XLogP2.44
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 70743043) is [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is CCCC1(CO)CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1.
What is the InChIKey of [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is YSWILIGFECSLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-2-4-13(9-21)5-3-6-20(8-13)12(22)10-7-11(19-18-10)14(15,16)17/h7,21H,2-6,8-9H2,1H3,(H,18,19).
What are the key properties of [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 319.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 70743043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).