[4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol

C11H15F3N4O — CID 146104855

IUPAC[4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2nnccc2C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-1-4-16-17-9(8)18-5-2-10(15,7-19)3-6-18/h1,4,19H,2-3,5-7,15H2
InChIKeyQSZPWXRNJCHCHH-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.79
Rot. Bonds2

About [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol

[4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol (PubChem CID 146104855) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol
PubChem CID146104855
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2nnccc2C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-1-4-16-17-9(8)18-5-2-10(15,7-19)3-6-18/h1,4,19H,2-3,5-7,15H2
InChIKeyQSZPWXRNJCHCHH-UHFFFAOYSA-N
XLogP0.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol (CID 146104855) is [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol is NC1(CO)CCN(c2nnccc2C(F)(F)F)CC1.
What is the InChIKey of [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol?
The InChIKey is QSZPWXRNJCHCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-1-4-16-17-9(8)18-5-2-10(15,7-19)3-6-18/h1,4,19H,2-3,5-7,15H2.
What are the key properties of [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol?
[4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol has a molecular weight of 276.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-[4-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 146104855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).