N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine

C16H24F3N3O — CID 90802714

IUPACN-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)(C)OCN1CCC(Nc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H24F3N3O/c1-15(2,3)23-11-22-8-5-12(6-9-22)21-13-4-7-20-14(10-13)16(17,18)19/h4,7,10,12H,5-6,8-9,11H2,1-3H3,(H,20,21)
InChIKeyNCDOHDIPFAABHW-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.75
Rot. Bonds4

About N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine

N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 90802714) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID90802714
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC NameN-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCC(C)(C)OCN1CCC(Nc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H24F3N3O/c1-15(2,3)23-11-22-8-5-12(6-9-22)21-13-4-7-20-14(10-13)16(17,18)19/h4,7,10,12H,5-6,8-9,11H2,1-3H3,(H,20,21)
InChIKeyNCDOHDIPFAABHW-UHFFFAOYSA-N
XLogP3.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine (CID 90802714) is N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine is CC(C)(C)OCN1CCC(Nc2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is NCDOHDIPFAABHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-15(2,3)23-11-22-8-5-12(6-9-22)21-13-4-7-20-14(10-13)16(17,18)19/h4,7,10,12H,5-6,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine?
N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 90802714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).