1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C17H18F3N3O — CID 56669299

IUPAC1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)13-3-1-12(2-4-13)16(15-11-21-7-8-22-15)23-9-5-14(24)6-10-23/h1-4,7-8,11,14,16,24H,5-6,9-10H2
InChIKeyIIZMOZQQOYEMMW-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.04
Rot. Bonds3

About 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 56669299) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID56669299
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)13-3-1-12(2-4-13)16(15-11-21-7-8-22-15)23-9-5-14(24)6-10-23/h1-4,7-8,11,14,16,24H,5-6,9-10H2
InChIKeyIIZMOZQQOYEMMW-UHFFFAOYSA-N
XLogP3.04
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 56669299) is 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is OC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1.
What is the InChIKey of 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is IIZMOZQQOYEMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)13-3-1-12(2-4-13)16(15-11-21-7-8-22-15)23-9-5-14(24)6-10-23/h1-4,7-8,11,14,16,24H,5-6,9-10H2.
What are the key properties of 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 337.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 56669299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).