1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol

C13H20F3N3O — CID 141299369

IUPAC1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol
SMILESCN1CCN(C(C2C(O)=CC=CN2C)C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O/c1-17-6-8-19(9-7-17)12(13(14,15)16)11-10(20)4-3-5-18(11)2/h3-5,11-12,20H,6-9H2,1-2H3
InChIKeyLDNMTBQCXPWSJY-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.43
Rot. Bonds2

About 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol

1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol (PubChem CID 141299369) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol.

Molecular Properties

Compound Name1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol
PubChem CID141299369
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol
SMILESCN1CCN(C(C2C(O)=CC=CN2C)C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3O/c1-17-6-8-19(9-7-17)12(13(14,15)16)11-10(20)4-3-5-18(11)2/h3-5,11-12,20H,6-9H2,1-2H3
InChIKeyLDNMTBQCXPWSJY-UHFFFAOYSA-N
XLogP1.43
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol?
The IUPAC name of 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol (CID 141299369) is 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol.
What is the SMILES notation for 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol?
The canonical SMILES for 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol is CN1CCN(C(C2C(O)=CC=CN2C)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol?
The InChIKey is LDNMTBQCXPWSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-17-6-8-19(9-7-17)12(13(14,15)16)11-10(20)4-3-5-18(11)2/h3-5,11-12,20H,6-9H2,1-2H3.
What are the key properties of 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol?
1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol has a molecular weight of 291.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol is sourced from PubChem (CID 141299369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).