[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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Related Compounds

[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 97155764
5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 97153305
1-oxa-9-azaspiro[4.6]undecan-9-yl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 74251216
[(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124966240
(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 70742601
[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 156603570
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 56867363
[(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 126442602
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
(2,6-dimethylpyrimidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138865
[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 70773679
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 74241708

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).