4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol

C12H15F3N2O2 — CID 79839410

IUPAC4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
SMILESOC1(CNc2cc(C(F)(F)F)ccn2)CCOCC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-1-4-16-10(7-9)17-8-11(18)2-5-19-6-3-11/h1,4,7,18H,2-3,5-6,8H2,(H,16,17)
InChIKeyDHFHLZNKVZSGFH-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.05
Rot. Bonds3

About 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol

4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol (PubChem CID 79839410) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
PubChem CID79839410
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
SMILESOC1(CNc2cc(C(F)(F)F)ccn2)CCOCC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-1-4-16-10(7-9)17-8-11(18)2-5-19-6-3-11/h1,4,7,18H,2-3,5-6,8H2,(H,16,17)
InChIKeyDHFHLZNKVZSGFH-UHFFFAOYSA-N
XLogP2.05
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 66330056
[3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol
CID 133399075
4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 114562791
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 115669125
2-[(3-hydroxyoxolan-3-yl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 103847650
4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol
CID 106747935
4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132040
1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115695376
N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115664962
4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81132046
1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 102718737

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol (CID 79839410) is 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol is OC1(CNc2cc(C(F)(F)F)ccn2)CCOCC1.
What is the InChIKey of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol?
The InChIKey is DHFHLZNKVZSGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)9-1-4-16-10(7-9)17-8-11(18)2-5-19-6-3-11/h1,4,7,18H,2-3,5-6,8H2,(H,16,17).
What are the key properties of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol?
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol has a molecular weight of 276.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 79839410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).