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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Related Compounds

2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56665469
N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56661985
cyclopropyl-[4-[[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone;hydrochloride
CID 56672798
1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 3229259
(3S)-N-[(1R)-1-pyrazin-2-ylethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 97232131
1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 56676016
(2R)-2-hydroxy-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95715119
3-[[4-(3-chlorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 56665875
1-[quinolin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3681831
1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3890618
4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 56679470
3-methyl-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 56669294

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).