1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde

C11H12F3N3O — CID 142966295

IUPAC1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2cnc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)9-5-16-10(6-15-9)17-3-1-8(7-18)2-4-17/h5-8H,1-4H2
InChIKeyRNKRRNBKFJZSFU-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.91
Rot. Bonds2

About 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde

1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde (PubChem CID 142966295) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde
PubChem CID142966295
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2cnc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)9-5-16-10(6-15-9)17-3-1-8(7-18)2-4-17/h5-8H,1-4H2
InChIKeyRNKRRNBKFJZSFU-UHFFFAOYSA-N
XLogP1.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(6-Methylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 18525897
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
CID 125143380
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 11165470
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 57843641
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68816636
(4-Propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 68817107
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68817543
(3-Methyl-4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 69145456
1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidin-3-one
CID 71226134
(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde
CID 142966294
2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine
CID 144513449
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrazin-2-amine;2,2,2-trifluoroacetaldehyde
CID 161190178

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde (CID 142966295) is 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde is O=CC1CCN(c2cnc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde?
The InChIKey is RNKRRNBKFJZSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)9-5-16-10(6-15-9)17-3-1-8(7-18)2-4-17/h5-8H,1-4H2.
What are the key properties of 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde?
1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde has a molecular weight of 259.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde is sourced from PubChem (CID 142966295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).