1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

C12H18F3N3O — CID 95816847

IUPAC1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCOCCN1CCC(c2cc(C(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C12H18F3N3O/c1-19-7-6-18-4-2-9(3-5-18)10-8-11(17-16-10)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyGNOFJBJKNTVHPB-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 95816847) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
PubChem CID95816847
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCOCCN1CCC(c2cc(C(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C12H18F3N3O/c1-19-7-6-18-4-2-9(3-5-18)10-8-11(17-16-10)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyGNOFJBJKNTVHPB-UHFFFAOYSA-N
XLogP2.25
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

({4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]morpholin-2-yl}methyl)amine
CID 56721872
3-ethoxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 71926905
2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110269011
1-(2-methoxyethyl)-4-(1H-pyrazol-5-yl)piperidine
CID 51104409
4-(3-isopropyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropanoyl)piperidine
CID 56718824
3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
CID 66509752
3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]oxolan-2-one
CID 72121345
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethyl)piperazine
CID 77097114
N-ethyl-2,2,2-trifluoro-N-[(5-isobutyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 91830725
(3S)-1-[2-(cyclopropylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 96514126
(2S)-1,1,1-trifluoro-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
CID 164631725
4-(5-pentyl-1H-pyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid
CID 69966913

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (CID 95816847) is 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is COCCN1CCC(c2cc(C(F)(F)F)n[nH]2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is GNOFJBJKNTVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-19-7-6-18-4-2-9(3-5-18)10-8-11(17-16-10)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 277.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 95816847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).